Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CNC2=C(N=C(COC3=CC=C(Br)C=C3)O2)C#N)C=C1

InChIKey

InChIKey=OVQOAGBRQMJRQH-UHFFFAOYSA-N

Formula

C19H16BrN3O3

Mass

414.259

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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 - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organobromide - Cyanide - Organohalogen 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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