Compound Identification
SMILES
CC1=CC=CC(=C1)C1=NOC(=N1)C1CCCN1C(=O)NC1=CC(Br)=CC=C1
InChIKey
InChIKey=WDMSKPIAMWWSDP-UHFFFAOYSA-N
Formula
C20H19BrN4O2
Mass
427.302
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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 Pyrrolidinecarboxamides Toluenes Bromobenzenes Aryl bromides Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Bromobenzene - Halobenzene - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrolidine - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - 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