Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=NC(C#N)=C(N)O1

InChIKey

InChIKey=MQIYOWQPOLBZJX-UHFFFAOYSA-N

Formula

C7H7N3O3

Mass

181.151

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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

2,4,5-trisubstituted oxazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2,4,5-trisubstituted 1,3-oxazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2, 4 and 5 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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