Compound Identification
SMILES
NC1=NC(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)=C(C2=NC3=CC=CC=C3O2)C(Cl)=N1
InChIKey
InChIKey=PHTFWVYBMMYCFZ-HLXLPKMUSA-N
Formula
C17H18ClN5O4
Mass
391.81
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
Secondary alkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Benzenoids Cyclopentanols Imidolactams Oxazoles Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Primary alcohols Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Cyclopentanol - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Cyclic alcohol - Oxazole - Secondary alcohol - Oxacycle - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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