Compound Identification
SMILES
OC(CNCCC1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)C2=NOC(CCC3=CC(F)=C(F)C=C3)=N2)C=C1)C1=CN=CC=C1
InChIKey
InChIKey=FDFCTLXLFKBCRY-UHFFFAOYSA-N
Formula
C31H29F2N5O4S
Mass
605.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Sulfanilides Benzenesulfonamides Phenethylamines Benzenesulfonyl compounds Aralkylamines Fluorobenzenes Pyridines and derivatives Aryl fluorides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Organopnictogen compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzenesulfonamide - Sulfanilide - Phenethylamine - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Pyridine - Aryl halide - Benzenoid - Organosulfonic acid amide - Aryl fluoride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Oxacycle - Azacycle - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic alcohol - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available