Compound Identification
SMILES
CCC\C=C\C1=CC=C(S1)C1=CN=C(O1)C(O)(O)C(F)(F)F
InChIKey
InChIKey=JUHORLMTJGNXSO-SNAWJCMRSA-N
Formula
C14H14F3NO3S
Mass
333.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 2,5-disubstituted 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
2,5-disubstituted oxazoles
Alternative Parents
2,5-disubstituted thiophenes Heteroaromatic compounds Fluorohydrins Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,5-disubstituted 1,3-oxazole - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Fluorohydrin - Halohydrin - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Aromatic alcohol - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,5-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 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