Compound Identification
SMILES
CC1=NC2=C(N1)C=C(NC=C(C=O)C1=NC3=C(O1)C=CC(Cl)=C3)C=C2
InChIKey
InChIKey=REBPTLWLDWYAGQ-UHFFFAOYSA-N
Formula
C18H13ClN4O2
Mass
352.78
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
Benzimidazoles Aryl chlorides Benzenoids Vinylogous amides Oxazoles Imidazoles Heteroaromatic compounds Enals Secondary amines Oxacyclic compounds Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzoxazole - Aryl chloride - Aryl halide - Benzenoid - Alpha,beta-unsaturated aldehyde - Azole - Heteroaromatic compound - Enal - Vinylogous amide - Imidazole - Oxazole - Oxacycle - Azacycle - Enamine - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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