Compound Identification
SMILES
CC1=C(CC(=O)NC2=C(SC=C2)C2=NC(=O)C(O)=C(N2)C(O)=O)N=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=OHMAXIBUYVPIFF-UHFFFAOYSA-N
Formula
C21H16N4O6S
Mass
452.44
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
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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
Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids 2,4,5-trisubstituted oxazoles N-arylamides Hydroxypyrimidines Pyrimidones Benzene and substituted derivatives Thiophenes Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - 2,4,5-trisubstituted 1,3-oxazole - N-arylamide - Hydroxypyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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