Compound Identification
SMILES
O[C@@H](CNCC1=CC=CS1)COC1=CC=CC(=C1)C1=NOC2=C1C=CC(F)=C2
InChIKey
InChIKey=LLEOLWISYNSLHU-INIZCTEOSA-N
Formula
C21H19FN2O3S
Mass
398.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Aryl fluorides Thiophenes Isoxazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Thiophene - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Azacycle - Oxacycle - Ether - Secondary aliphatic amine - Amine - Organic nitrogen compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
External Descriptors
Not available