Compound Identification
SMILES
COC1=CC=CC(NC(=O)N2CCC[C@H]2C2=NC(=NO2)C2=CC=CC=C2)=C1
InChIKey
InChIKey=LXHJMWQAAYCNKS-KRWDZBQOSA-N
Formula
C20H20N4O3
Mass
364.405
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
N-phenylureas Methoxyanilines Pyrrolidinecarboxamides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrolidine - Urea - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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