Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NOC(=N1)C1CCCN1C(=O)C1=CC=CC=C1C
InChIKey
InChIKey=ADVTYEGJROKNRR-UHFFFAOYSA-N
Formula
C21H21N3O3
Mass
363.417
Taxonomic Classification
Taxonomy Tree
-
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
o-Toluamides Benzamides Phenoxy compounds N-acylpyrrolidines Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - N-acylpyrrolidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen 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