Compound Identification
SMILES
O[C@@H](CNCCC1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)C2=NOC(COC3=CC(F)=C(F)C=C3)=N2)C=C1)C1=CN=CC=C1
InChIKey
InChIKey=LJGZBXGXTXKHNC-NDEPHWFRSA-N
Formula
C30H27F2N5O5S
Mass
607.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
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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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyridines and derivatives Organosulfonamides Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Sulfanilide - Benzenesulfonamide - Phenethylamine - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Aralkylamine - Fluorobenzene - Benzenoid - Pyridine - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Oxacycle - Secondary aliphatic amine - Ether - Azacycle - Alcohol - Aromatic alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - 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