Compound Identification
SMILES
CCC([O-])=O.CC1=NC=CN1C1=NC(=C(CC2=CC=CC=C2)O1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QYDOEPSJUDUBFO-UHFFFAOYSA-M
Formula
C23H21ClN3O3
Mass
422.89
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
2,4,5-trisubstituted oxazoles Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organic anions
Molecular Framework
Not available
Substituents
Phenyl-1,3-oxazole - 2,4,5-trisubstituted 1,3-oxazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic anion - Aromatic heteromonocyclic 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