Compound Identification
SMILES
FC1=C(F)N=C(O1)C(=O)NC1=CN=C(Cl)C=C1
InChIKey
InChIKey=JGTXZYXIQPXIGH-UHFFFAOYSA-N
Formula
C9H4ClF2N3O2
Mass
259.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 2,4,5-trisubstituted 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
2,4,5-trisubstituted oxazoles
Alternative Parents
2-heteroaryl carboxamides 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-oxazole - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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