Compound Identification
SMILES
CN1C=CN=C1SCC1=NC(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)=C(C)O1
InChIKey
InChIKey=KFRMZPJUUPQXCW-UHFFFAOYSA-N
Formula
C21H22N4O4S2
Mass
458.55
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 N-substituted imidazoles Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides 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 - N-substituted imidazole - Benzenoid - Dicarboximide - Heteroaromatic compound - Imidazole - Thiazolidine - Thiocarbamic acid derivative - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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