Compound Identification
SMILES
CC1=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(CSC2=NC=CC=N2)O1
InChIKey
InChIKey=OBAMBOKRXCQVTF-UHFFFAOYSA-N
Formula
C21H20N4O4S2
Mass
456.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxazoles
- Level 5 2,4,5-trisubstituted oxazoles
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Subclass
Oxazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted oxazoles
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Thiazolidinediones Alkylarylthioethers Pyrimidines and pyrimidine derivatives Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Thiazolidinedione - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Dicarboximide - Heteroaromatic compound - Thiazolidine - Thiocarbamic acid derivative - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2, 4 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
External Descriptors
Not available