Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NOC(=N1)C1CCCCN1C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=NPKDAYMFRFUAEE-UHFFFAOYSA-N
Formula
C23H20F6N4O3
Mass
514.428
Taxonomic Classification
Taxonomy Tree
-
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
-
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 N-phenylureas Piperidinecarboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organofluorides Carbonyl compounds Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Trifluoromethylbenzene - N-phenylurea - 1-piperidinecarboxamide - Piperidinecarboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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