Structure Information
Structure

Compound Identification

SMILES

CC1=NC(NC2=NC3=CC=CC=C3O2)=NC(=O)C1=NNC1=CC=C(Cl)C=C1

InChIKey

InChIKey=XMSQKWWZLHJZCD-UHFFFAOYSA-N

Formula

C18H13ClN6O2

Mass

380.79

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Phenylhydrazine - Aminopyrimidine - Pyrimidone - Halobenzene - Chlorobenzene - Aryl chloride - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Oxazole - Heteroaromatic compound - Azole - N-acylimine - Oxacycle - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

External Descriptors

Not available

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