3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one

C18H16F3NO2 — CID 132540292

IUPAC3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CC(F)(F)F)(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)12-17(15-9-5-2-6-10-15)13-22(16(23)24-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyGWAVCMHPYJCFEJ-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.49
Rot. Bonds4

About 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one

3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 132540292) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
PubChem CID132540292
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CC(F)(F)F)(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)12-17(15-9-5-2-6-10-15)13-22(16(23)24-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyGWAVCMHPYJCFEJ-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (CID 132540292) is 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is O=C1OC(CC(F)(F)F)(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is GWAVCMHPYJCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)12-17(15-9-5-2-6-10-15)13-22(16(23)24-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 335.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 132540292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).