Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/C(=O)OC)C1=COC(N)=N1

InChIKey

InChIKey=HHHUITHWIDTCSJ-YHYXMXQVSA-N

Formula

C7H9N3O4

Mass

199.166

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxazoles

Intermediate Tree Nodes

Not available

Direct Parent

2,4-disubstituted oxazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.

External Descriptors

Not available

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