5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one

C16H10F3NO2 — CID 13449404

IUPAC5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
SMILESO=C1N=C(C(F)(F)F)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)14-20-13(21)15(22-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUWORXISEYJRHLC-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.45
Rot. Bonds2

About 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one

5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one (PubChem CID 13449404) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
PubChem CID13449404
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
SMILESO=C1N=C(C(F)(F)F)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)14-20-13(21)15(22-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUWORXISEYJRHLC-UHFFFAOYSA-N
XLogP3.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one?
The IUPAC name of 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one (CID 13449404) is 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one.
What is the SMILES notation for 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one?
The canonical SMILES for 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one is O=C1N=C(C(F)(F)F)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one?
The InChIKey is UWORXISEYJRHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)14-20-13(21)15(22-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one?
5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one has a molecular weight of 305.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one is sourced from PubChem (CID 13449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).