Compound Identification
SMILES
CNC1=C(C(O)=O)C2=C(OC(C[C@@H]3OC4(CC[C@@H]3C)O[C@H]([C@@H](C)C(=O)C3=CC=CN3)[C@H](C)C[C@H]4C)=N2)C=C1
InChIKey
InChIKey=HIYAVKIYRIFSCZ-HEIZBSEKSA-N
Formula
C29H37N3O6
Mass
523.63
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
Aryl alkyl ketones Secondary alkylarylamines Ketals Substituted pyrroles Oxanes Benzenoids Vinylogous amides Oxazoles Heteroaromatic compounds Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl alkyl ketone - Aryl ketone - Ketal - Secondary aliphatic/aromatic amine - Oxane - Substituted pyrrole - Benzenoid - Azole - Oxazole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Ketone - Amino acid - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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