Compound Identification
SMILES
CC(=C)C(=O)C1=C(C)C=C(OCC2=NC(=NO2)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=JINDRVQGCAJMPQ-UHFFFAOYSA-N
Formula
C20H17FN2O3
Mass
352.365
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
Phenylpropanes Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Fluorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl fluorides Acryloyl compounds Enones Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenylpropane - Phenoxy compound - Phenol ether - Benzoyl - Aryl ketone - Halobenzene - Alkyl aryl ether - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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