2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone (CED0211211)

Record Information
Version1.0
Creation Date2026-08-24 14:06:21 UTC
Update Date2026-08-24 14:06:21 UTC
Accession NumberCHEM250346
Identification
Common Name2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
ClassSmall Molecule
Description
2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone belongs to the oxazolidines, a subclass of azolidines within the organic compounds. This organoheterocyclic compound has the formula C8H13Cl2NO2 and an average molecular weight of 226.10 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H13Cl2NO2
Average Molecular Mass226.100 g/mol
Monoisotopic Mass225.032 g/mol
CAS Registry Number52836-31-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H13Cl2NO2/c1-5-4-11(7(12)6(9)10)8(2,3)13-5/h5-6H,4H2,1-3H3
InChI KeyYNQSILKYZQZHFJ-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
767.0Log mg/kg[430:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
602MolluscicidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureRetinal dehydrogenase 2O93344Gallus gallusPredicted (SEA)0.544945
Click to view 3D structureAldehyde dehydrogenase 1A1P27463Gallus gallusPredicted (SEA)1.40129
Click to view 3D structureAbscisic acid 8'-hydroxylase 3Q9FH76Arabidopsis thalianaPredicted (SEA)1.55698
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)9.57545
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)6.53933
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)6.53933
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)6.53933
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)6.53933
Click to view 3D structureChemokine (C-C motif) receptor 1Q2V0Q7Canis lupus familiarisPredicted (SEA)203.809
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)3739.18
Dipeptidyl peptidase 8 structureClick to view 3D structureDipeptidyl peptidase 8Q6V1X1HumansPredicted (SEA)2053.82
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)3549.69
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)5017.85
Dipeptidyl peptidase 9 structureClick to view 3D structureDipeptidyl peptidase 9Q86TI2HumansPredicted (SEA)2461.36
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)6279.08
Dipeptidyl peptidase 2 structureClick to view 3D structureDipeptidyl peptidase 2Q9UHL4HumansPredicted (SEA)2390.44
C-C chemokine receptor type 1 structureClick to view 3D structureC-C chemokine receptor type 1P32246HumansPredicted (SEA)3545.88
Click to view 3D structureChemokine receptorQ9MYJ9Oryctolagus cuniculusPredicted (SEA)1207.21
Click to view 3D structureSynaptic vesicle glycoprotein 2AQ02563Rattus norvegicusPredicted (SEA)42.1164
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)6034.09
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)5750.64
Click to view 3D structureAP-4 complex subunit sigma-1Q9Y587HumansPredicted (SEA)374.766
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)7458.58
Peptide deformylase structureClick to view 3D structurePeptide deformylaseP9WIJ3Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)625.207
RAC-beta serine/threonine-protein kinase structureClick to view 3D structureRAC-beta serine/threonine-protein kinaseP31751HumansPredicted (SEA)7342.97
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available