Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=COC(=N1)[C@H](C)CCN=[N+]=[N-]

InChIKey

InChIKey=PCKHKOXCKJLWGX-ZCFIWIBFSA-N

Formula

C9H12N4O3

Mass

224.22

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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 - Azo compound - Azo imide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic cation - 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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