Compound Identification
SMILES
[B]N(CCO)[C@H]1CCC2=C(C=CC=C12)C1=NOC(=N1)C1=CC(C#N)=C(OC(C)C)C=C1
InChIKey
InChIKey=VWTWRAZDWOEFFD-FQEVSTJZSA-N
Formula
C23H23BN4O3
Mass
414.27
Taxonomic Classification
Taxonomy Tree
-
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
Indanes Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic metalloid salts Nitriles Azacyclic compounds Alkanolamines Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Indane - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic metalloid salt - Oxacycle - Nitrile - Carbonitrile - Ether - Alkanolamine - Azacycle - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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