3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-

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Basic information

CAS: 145440-85-3
Standard SMILES: Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1
InChIKey: OVBQZMCOZUJNCE-UHFFFAOYSA-N
Molecular formula: C12H9F3N2O2
Average molar mass: 270.21 g/mol
Monoisotopic mass: 270.06161202

Names & identifiers

Preferred name: 3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
IUPAC: 5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
English name: 5-methyl-N-[2-(trifluoromethyl)phenyl]oxazole-3-carboxamide
Molecular formula: C12H9F3N2O2
Molecular weight: 270.21

Names & synonyms

145440-85-3BRN 58209965-Methyl-N-(2-(trifluoromethyl)phenyl)-3-isoxazolecarboxamide3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-RefChem:2802385-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide5-Methyl-N-(2-(trifluoromethyl)phenyl)isoxazole-3-carboxamide5-methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-3-carboxamide5-METHYL-N-[2-(TRIFLUOROMETHYL)PHENYL]OXAZOLE-3-CARBOXAMIDEMLS000087305SCHEMBL4129673CHEMBL1598185

Show more names

3-Isoxazolecarboxamide, 5-methyl-N-[2-(trifluoromethyl)phenyl]-

DTXSID00932594OVBQZMCOZUJNCE-UHFFFAOYSA-NHMS2447M23STK484341AKOS003394191SMR000023528ST50676050SR-01000122410

Database identifiers

CAS: 145440-85-3
PubChem CID: 3073007
DTXSID: DTXSID00932594
ChEMBL: CHEMBL1598185
Nikkaji: J517.235G

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 335

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Compound notes

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