Compound Identification
SMILES
COC1=C(CN2CCN(CC2)C(=O)CSC2=NC3=CC=CC=C3O2)C=C(F)C=C1
InChIKey
InChIKey=AMYQQHCEYZHSJL-UHFFFAOYSA-N
Formula
C21H22FN3O3S
Mass
415.48
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
Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Alkylarylthioethers N-alkylpiperazines Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Phenoxy compound - Aryl thioether - Anisole - Phenylmethylamine - Phenol ether - Benzylamine - Methoxybenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Alkylarylthioether - Fluorobenzene - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Piperazine - Azole - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Thioether - Ether - Sulfenyl compound - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen 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