3-(furan-2-yl)-6,8-dihydro-5h-[1,2,4]triazolo[3,4-c][1,4]oxazine (CED0316332)

Record Information
Version1.0
Creation Date2026-09-01 17:34:49 UTC
Update Date2026-09-01 17:34:49 UTC
SynCED IDCED0316332
Secondary Accession Numbers
  • CHEM362311
Identification
Common Name3-(furan-2-yl)-6,8-dihydro-5h-[1,2,4]triazolo[3,4-c][1,4]oxazine
ClassSmall Molecule
Description
3-(furan-2-yl)-6,8-dihydro-5h-[1,2,4]triazolo[3,4-c][1,4]oxazine is a chemical compound with the formula C9H9N3O2. It has an average molecular weight of 191.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9N3O2
Average Molecular MassNot Available
Monoisotopic Mass191.069 g/mol
CAS Registry Number78205-37-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1COCC2=NN=C(N21)C3=CC=CO3
InChI IdentifierInChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2
InChI KeyUUPGWDMVJYHKKP-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1076.0 Log mg/kg [610:1900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.342
Statistical Significance
0.0062
Supporting Reference Compounds
108
E-value
48.6558
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.342
Statistical Significance
0.0181
Supporting Reference Compounds
130
E-value
140.829
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.342
Statistical Significance
0.0619
Supporting Reference Compounds
343
E-value
481.575
Click to view 3D structureHistamine H1 receptorP70174MousePredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.262 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.10836
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0816
Supporting Reference Compounds
302
E-value
635.405
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0967
Supporting Reference Compounds
303
E-value
753.113
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.378
Statistical Significance
0.0976
Supporting Reference Compounds
296
E-value
760.042
Dual specificity protein phosphatase 6 structureClick to view 3D structureDual specificity protein phosphatase 6Q64346Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.342
Statistical Significance
0.0049
Supporting Reference Compounds
53
E-value
38.1461
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0891
Supporting Reference Compounds
187
E-value
693.559
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.27 Low confidence
Statistical Significance
0.0897
Supporting Reference Compounds
174
E-value
698.074
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.266 Low confidence
Statistical Significance
0.0857
Supporting Reference Compounds
221
E-value
666.934
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.276 Low confidence
Statistical Significance
0.1888
Supporting Reference Compounds
391
E-value
1469.64
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.266 Low confidence
Statistical Significance
0.0888
Supporting Reference Compounds
174
E-value
691.457
Protein polybromo-1 structureClick to view 3D structureProtein polybromo-1Q86U86HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.333
Statistical Significance
0.0053
Supporting Reference Compounds
30
E-value
41.6493
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.262 Low confidence
Statistical Significance
0.8002
Supporting Reference Compounds
1498
E-value
6229.49
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.378
Statistical Significance
0.0892
Supporting Reference Compounds
104
E-value
694.571
Zinc finger protein mex-5 structureClick to view 3D structureZinc finger protein mex-5Q9XUB2Caenorhabditis elegansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.378
Statistical Significance
0.0322
Supporting Reference Compounds
88
E-value
250.674
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.271 Low confidence
Statistical Significance
0.8273
Supporting Reference Compounds
1538
E-value
6440.7
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A structureClick to view 3D structurecAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10AQ9Y233HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.258 Low confidence
Statistical Significance
0.1221
Supporting Reference Compounds
146
E-value
950.539
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.25 Low confidence
Statistical Significance
0.6245
Supporting Reference Compounds
807
E-value
4861.37
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5994
Supporting Reference Compounds
742
E-value
4666.28
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.25 Low confidence
Statistical Significance
0.6079
Supporting Reference Compounds
779
E-value
4732.69
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5553
Supporting Reference Compounds
565
E-value
4322.66
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.232 Low confidence
Statistical Significance
0.8234
Supporting Reference Compounds
1245
E-value
6410.49
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.233 Low confidence
Statistical Significance
0.5978
Supporting Reference Compounds
674
E-value
4653.67
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available