Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NOC(=N1)C1CCCN(C1)C(=O)NC1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=IZXVGBPLKYOFPW-UHFFFAOYSA-N
Formula
C21H20Cl2N4O3
Mass
447.32
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
N-phenylureas Piperidinecarboxamides Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - 1-piperidinecarboxamide - Piperidinecarboxamide - Anisole - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Benzenoid - Piperidine - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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