Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(OC=N1)C1=COC=C1

InChIKey

InChIKey=PBIULHQYEUKHPR-UHFFFAOYSA-N

Formula

C9H7NO4

Mass

193.158

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxazoles

Intermediate Tree Nodes

Not available

Direct Parent

4,5-disubstituted oxazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4,5-disubstituted 1,3-oxazole - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4,5-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 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

Previous Back Next