Compound Identification
SMILES
O[C@@H](COC1=CC=CC=C1F)CN1CCN(CC2=NOC(=N2)C2=CC=CC=C2C(F)(F)F)CC1
InChIKey
InChIKey=KPZNQGNTUCOOIM-MRXNPFEDSA-N
Formula
C23H24F4N4O3
Mass
480.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
-
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
Trifluoromethylbenzenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Oxacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Oxacycle - Ether - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Alkyl fluoride - Organic nitrogen compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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