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

C17H11F3N2O2 — CID 19439784

IUPAC5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-10-21-24-15(14)11-4-2-1-3-5-11/h1-10H,(H,22,23)
InChIKeyXJTZLNPOBIBOJD-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.61
Rot. Bonds3

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

5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 19439784) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID19439784
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-10-21-24-15(14)11-4-2-1-3-5-11/h1-10H,(H,22,23)
InChIKeyXJTZLNPOBIBOJD-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

Analyze 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 19439784) is 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XJTZLNPOBIBOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-10-21-24-15(14)11-4-2-1-3-5-11/h1-10H,(H,22,23).
What are the key properties of 5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-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-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 19439784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).