5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C17H10F4N2O2 — CID 54488840

IUPAC5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1F
InChIInChI=1S/C17H10F4N2O2/c18-14-4-2-1-3-12(14)15-13(9-22-25-15)16(24)23-11-7-5-10(6-8-11)17(19,20)21/h1-9H,(H,23,24)
InChIKeyXUHUVGZPDUTGFD-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.75
Rot. Bonds3

About 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 54488840) has the molecular formula C17H10F4N2O2 and a molecular weight of 350.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID54488840
Molecular FormulaC17H10F4N2O2
Molecular Weight350.27 g/mol
Exact Mass350.07
IUPAC Name5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1F
InChIInChI=1S/C17H10F4N2O2/c18-14-4-2-1-3-12(14)15-13(9-22-25-15)16(24)23-11-7-5-10(6-8-11)17(19,20)21/h1-9H,(H,23,24)
InChIKeyXUHUVGZPDUTGFD-UHFFFAOYSA-N
XLogP4.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 54488840) is 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XUHUVGZPDUTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2/c18-14-4-2-1-3-12(14)15-13(9-22-25-15)16(24)23-11-7-5-10(6-8-11)17(19,20)21/h1-9H,(H,23,24).
What are the key properties of 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 350.27 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54488840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).