Structure Information
Structure

Compound Identification

SMILES

NC1=NC(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)=C(C2=NC3=CC=CC=C3O2)C(Cl)=N1

InChIKey

InChIKey=PHTFWVYBMMYCFZ-HLXLPKMUSA-N

Formula

C17H18ClN5O4

Mass

391.81

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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 - Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Cyclopentanol - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Cyclic alcohol - Oxazole - Secondary alcohol - Oxacycle - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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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