5-methyl-3-[(e)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidine-2-thione (CED0316340)

Record Information

Version

1.0

Creation Date

2026-09-01 17:35:37 UTC

Update Date

2026-09-01 17:35:37 UTC

SynCED ID

CED0316340

Secondary Accession Numbers

CHEM362320

Identification

Common Name

5-methyl-3-[(e)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidine-2-thione

Class

Small Molecule

Description

5-methyl-3-[(e)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidine-2-thione is a chemical compound with the formula C9H9N3O4S. It has an average molecular weight of 255.25 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉N₃O₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

255.031 g/mol

CAS Registry Number

5407-80-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1CN(C(=S)O1)N=CC2=CC=C(O2)[N+](=O)[O-]

InChI Identifier

InChI=1S/C9H9N3O4S/c1-6-5-11(9(17)15-6)10-4-7-2-3-8(16-7)12(13)14/h2-4,6H,5H2,1H3/b10-4+

InChI Key

XOZHNYXWDMECNX-ONNFQVAWSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
680.0 Log mg/kg [380:1200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.538 Statistical Significance 0.0126 Supporting Reference Compounds 425 E-value 97.7786
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.309 Statistical Significance 0.0494 Supporting Reference Compounds 205 E-value 384.342
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.339 Statistical Significance 0.0992 Supporting Reference Compounds 343 E-value 772.654
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.292 Low confidence Statistical Significance 0.1055 Supporting Reference Compounds 90 E-value 821.465
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.339 Statistical Significance 0.0704 Supporting Reference Compounds 108 E-value 548.292
Click to view 3D structure	CDGSH iron-sulfur domain-containing protein 1	Q9NZ45	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.538 Statistical Significance 0.0075 Supporting Reference Compounds 22 E-value 58.7762
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.29 Low confidence Statistical Significance 0.3097 Supporting Reference Compounds 166 E-value 2410.76
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.339 Statistical Significance 0.3596 Supporting Reference Compounds 226 E-value 2799.77
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.339 Statistical Significance 0.3603 Supporting Reference Compounds 227 E-value 2804.67
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.265 Low confidence Statistical Significance 0.1322 Supporting Reference Compounds 105 E-value 1029.48
Click to view 3D structure	Signal transducer and activator of transcription 3	P40763	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.373 Statistical Significance 0.2533 Supporting Reference Compounds 93 E-value 1972.08
Click to view 3D structure	Likely tRNA 2'-phosphotransferase	Q5A7N4	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.344 Statistical Significance 6.80e-04 Supporting Reference Compounds 10 E-value 5.29375
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.29 Low confidence Statistical Significance 0.2244 Supporting Reference Compounds 111 E-value 1747.33
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.29 Low confidence Statistical Significance 0.2265 Supporting Reference Compounds 91 E-value 1763.21
Click to view 3D structure	RNA-binding protein pos-1	G5EF15	Caenorhabditis elegans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.309 Statistical Significance 0.0594 Supporting Reference Compounds 52 E-value 462.347
Click to view 3D structure	P2Y purinoceptor 6	Q15077	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.203 Low confidence Statistical Significance 0.022 Supporting Reference Compounds 38 E-value 171.424
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.241 Low confidence Statistical Significance 0.3999 Supporting Reference Compounds 117 E-value 3112.96
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.278 Low confidence Statistical Significance 0.5727 Supporting Reference Compounds 296 E-value 4458.27
Click to view 3D structure	Large T antigen	P03070	Simian virus 40	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.265 Low confidence Statistical Significance 0.1283 Supporting Reference Compounds 78 E-value 998.494
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.2 Low confidence Statistical Significance 0.5521 Supporting Reference Compounds 209 E-value 4298.06
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.243 Low confidence Statistical Significance 0.3135 Supporting Reference Compounds 104 E-value 2440.73
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.23 Low confidence Statistical Significance 0.3753 Supporting Reference Compounds 116 E-value 2922.07
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.236 Low confidence Statistical Significance 0.4314 Supporting Reference Compounds 117 E-value 3358.8
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.224 Low confidence Statistical Significance 0.4317 Supporting Reference Compounds 147 E-value 3361.06
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.29 Low confidence Statistical Significance 0.5037 Supporting Reference Compounds 115 E-value 3921.27