Compound Identification
SMILES
CC(C)N(C)C1=NC2=C(N1)C=C(NC(=O)C1=NOC(=N1)C1=CC=C(C=C1)C(F)(F)F)C=C2
InChIKey
InChIKey=UKMYIZVHOVFOSW-UHFFFAOYSA-N
Formula
C21H19F3N6O2
Mass
444.418
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 Benzimidazoles Dialkylarylamines 2-heteroaryl carboxamides Aminoimidazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Trifluoromethylbenzene - Benzimidazole - 2-heteroaryl carboxamide - Dialkylarylamine - Aminoimidazole - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic 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