Compound Identification
SMILES
BrC1=C(C(=O)NC2CN3CCC2CC3)C2=C(OC(=N2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=TWKJQYYTHDGIIM-UHFFFAOYSA-N
Formula
C21H20BrN3O2
Mass
426.314
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
2-halobenzoic acids and derivatives Benzoxazoles Quinuclidines Piperidines Aryl bromides Vinylogous halides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,3-oxazole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoxazole - Quinuclidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors
Not available