Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCC1=NC(C#N)=C(N)O1

InChIKey

InChIKey=HNZHOONMJKYQQB-UHFFFAOYSA-N

Formula

C7H8N4O2

Mass

180.167

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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 - Acetamide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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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