Compound Identification
SMILES
OC(CN1CCC[C@@H](C1)C(O)=O)C1=CC(=C(C=C1)C1=NOC(=N1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=RCJRFCCXCZJHQL-UCFFOFKASA-N
Formula
C27H22F6N4O5
Mass
596.486
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
-
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 Piperidinecarboxylic acids Aralkylamines Isoxazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Trifluoromethylbenzene - Piperidinecarboxylic acid - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Isoxazole - Heteroaromatic compound - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Amine - Aromatic alcohol - 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