Compound Identification
SMILES
O=C(OCC1=COC(=N1)C1=CC=CS1)C1(CC1)C1=CC=CC=C1
InChIKey
InChIKey=JYYCQACLLWLAND-UHFFFAOYSA-N
Formula
C18H15NO3S
Mass
325.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 2,4-disubstituted 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
2,4-disubstituted oxazoles
Alternative Parents
Cyclopropanecarboxylic acids and derivatives Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-disubstituted 1,3-oxazole - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 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