5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H11F3N2O2 — CID 2227051

IUPAC5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-8-4-5-9-13(12)21-16(23)14-10-15(24-22-14)11-6-2-1-3-7-11/h1-10H,(H,21,23)
InChIKeyKBTCZMCFDRGDMG-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.61
Rot. Bonds3

About 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 2227051) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID2227051
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-8-4-5-9-13(12)21-16(23)14-10-15(24-22-14)11-6-2-1-3-7-11/h1-10H,(H,21,23)
InChIKeyKBTCZMCFDRGDMG-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 2227051) is 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KBTCZMCFDRGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)12-8-4-5-9-13(12)21-16(23)14-10-15(24-22-14)11-6-2-1-3-7-11/h1-10H,(H,21,23).
What are the key properties of 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2227051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).