Structure Information
Structure

Compound Identification

SMILES

CC1=C(CC(=O)NCC2CN(CC3=CC(Cl)=C(Cl)C=C3)CCO2)N=C(O1)C1=CC=CS1

InChIKey

InChIKey=ZCUQCPYNUIRAFQ-UHFFFAOYSA-N

Formula

C22H23Cl2N3O3S

Mass

480.4

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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 - Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Morpholine - Oxazinane - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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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