Compound Identification
SMILES
CNC1=C(C(O)=O)C2=C(OC(CC3OC4(CCC3C)OC(C(C)C(=O)C3=CC(Br)=CN3)C(C)CC4C)=N2)C=C1
InChIKey
InChIKey=OVBOOJZKYTWZLW-UHFFFAOYSA-N
Formula
C29H36BrN3O6
Mass
602.526
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 Ketals Secondary alkylarylamines Aryl bromides Benzenoids Substituted pyrroles Oxanes Vinylogous amides Heteroaromatic compounds Oxazoles Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Ketal - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Oxane - Pyrrole - Oxazole - Azole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Ketone - Amino acid - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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