Structure Information
Structure

Compound Identification

SMILES

CC1=NC(C#N)=C(O1)N=NC1=CC=CC=C1

InChIKey

InChIKey=OPJWWMCLMHUMKY-UHFFFAOYSA-N

Formula

C11H8N4O

Mass

212.212

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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 - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azo compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - 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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