Compound Identification
SMILES
ClC1=C(C=C(I)C=C1)C1=NC2=C(O1)C=CC(NC(=O)C1=CC3=C(OCO3)C=C1)=C2
InChIKey
InChIKey=SMIPCPPQKKOTSY-UHFFFAOYSA-N
Formula
C21H12ClIN2O4
Mass
518.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
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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
Benzoxazoles Benzodioxoles Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,3-oxazole - Benzoxazole - Benzodioxole - Iodobenzene - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen 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