Compound Identification
SMILES
CC1=NC(NC2=NC3=CC=CC=C3O2)=NC(=O)C1=NNC1=CC=C(Cl)C=C1
InChIKey
InChIKey=XMSQKWWZLHJZCD-UHFFFAOYSA-N
Formula
C18H13ClN6O2
Mass
380.79
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
Phenylhydrazines Pyrimidones Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Hydropyrimidines Oxazoles Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrazones Organopnictogen compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Phenylhydrazine - Aminopyrimidine - Pyrimidone - Halobenzene - Chlorobenzene - Aryl chloride - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Oxazole - Heteroaromatic compound - Azole - N-acylimine - Oxacycle - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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