Compound Identification
SMILES
O=C\C(=C/NC1=C(C#N)C2=C(CCC2)S1)C1=NC2=CC=CC=C2O1
InChIKey
InChIKey=NWGDUJOGOFHCEF-PKNBQFBNSA-N
Formula
C18H13N3O2S
Mass
335.38
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
3,4,5-trisubstituted-2-aminothiophenes Secondary alkylarylamines Benzenoids Vinylogous amides Oxazoles Heteroaromatic compounds Enals Oxacyclic compounds Nitriles Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - 3,4,5-trisubstituted-2-aminothiophene - Secondary aliphatic/aromatic amine - Benzenoid - 2-aminothiophene - Alpha,beta-unsaturated aldehyde - Azole - Enal - Oxazole - Thiophene - Vinylogous amide - Heteroaromatic compound - Oxacycle - Secondary amine - Azacycle - Enamine - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - 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