Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NOC(CCCC(=O)NC2=NC(=C(C)S2)C2=CC=C(F)C=C2)=N1
InChIKey
InChIKey=HJECXHHWHRUVIV-UHFFFAOYSA-N
Formula
C23H21FN4O3S
Mass
452.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenol ether - N-arylamide - Methoxybenzene - Anisole - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Aryl fluoride - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - 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