Compound Identification
SMILES
CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CCC(NC3CCN(CC3)C(=O)OC(C)(C)C)C2=CC=C1)C#N
InChIKey
InChIKey=IUQKIKMWNATVLX-UHFFFAOYSA-N
Formula
C31H37N5O4
Mass
543.668
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
-
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
Piperidinecarboxylic acids Indanes Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Aminopiperidines Aralkylamines Carbamate esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Indane - Piperidinecarboxylic acid - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - 4-aminopiperidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Carbamic acid ester - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Carbonyl group - 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