5-Phenyl-3-(trifluoromethyl)-1,2-oxazole

HCID 12371357

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Basic information

CAS: 62847-45-4
Standard SMILES: FC(F)(F)c1cc(-c2ccccc2)on1
InChIKey: UQLBVBMSKKAGAA-UHFFFAOYSA-N
Molecular formula: C10H6F3NO
Average molar mass: 213.16 g/mol
Monoisotopic mass: 213.0401483

Names & identifiers

Preferred name: 5-Phenyl-3-(trifluoromethyl)-1,2-oxazole
IUPAC: 5-phenyl-3-(trifluoromethyl)-1,2-oxazole

Names & synonyms

62847-45-45-Phenyl-3-(trifluoromethyl)-1,2-oxazoleDTXSID30494837RefChem:304655DTXCID304456475-phenyl-3-(trifluoromethyl)isoxazoleIsoxazole, 5-phenyl-3-(trifluoromethyl)-CHEMBL3277008SCHEMBL28320114UQLBVBMSKKAGAA-UHFFFAOYSA-N

Database identifiers

CAS: 62847-45-4
PubChem CID: 12371357
DTXSID: DTXSID30494837
ChEMBL: CHEMBL3277008
Nikkaji: J897.707K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 213

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