Compound Identification
SMILES
FC(F)(F)OC1=CC=CC=C1C1=NOC(=N1)[C@@H]1CCCN1C(=O)C1=C(C=CC(Cl)=C1)N1N=CC=N1
InChIKey
InChIKey=HSINAKNHTYNXPR-KRWDZBQOSA-N
Formula
C22H16ClF3N6O3
Mass
504.85
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
Phenyl-1,2,3-triazoles 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives N-acylpyrrolidines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Trihalomethanes Oxacyclic compounds Azacyclic compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-oxadiazole - Phenyl-1,2,3-triazole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - N-acylpyrrolidine - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Triazole - Tertiary carboxylic acid amide - Pyrrolidine - Trihalomethane - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organochloride - 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