Compound Identification
SMILES
COC1=CC=CC=C1NC=C(C#N)C1=NC2=C(O1)C=CC(Cl)=C2
InChIKey
InChIKey=CIFRGLQIXPFEIR-UHFFFAOYSA-N
Formula
C17H12ClN3O2
Mass
325.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aryl chlorides Oxazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Nitriles Enamines Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminophenyl ether - Benzoxazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Azacycle - Secondary amine - Oxacycle - Enamine - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Organohalogen compound - Organochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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