Structure Information
Structure

Compound Identification

SMILES

COC1=C(CN2CCN(CC2)C(=O)CSC2=NC3=CC=CC=C3O2)C=C(F)C=C1

InChIKey

InChIKey=AMYQQHCEYZHSJL-UHFFFAOYSA-N

Formula

C21H22FN3O3S

Mass

415.48

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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 - Phenoxy compound - Aryl thioether - Anisole - Phenylmethylamine - Phenol ether - Benzylamine - Methoxybenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Alkylarylthioether - Fluorobenzene - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Piperazine - Azole - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Thioether - Ether - Sulfenyl compound - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen 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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