Compound Identification
SMILES
C[NH+](CC1=NC(=NO1)C1=CC=CC=C1)CC1=C(NN=C1)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=HMEZEGZZSIQKBB-UHFFFAOYSA-O
Formula
C22H20N5O2
Mass
386.434
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
Benzofurans Aralkylamines Benzene and substituted derivatives Quaternary ammonium salts Pyrazoles Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzofuran - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Pyrazole - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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