(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one

C17H14F3NO2 — CID 100998256

IUPAC(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C(F)(F)F)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)15-14(13-9-5-2-6-10-13)21(16(22)23-15)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15+/m1/s1
InChIKeyAUIHAZNDRFQEKP-CABCVRRESA-N
MW321.30 g/mol
LogP4.31
Rot. Bonds3

About (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one

(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 100998256) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID100998256
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C(F)(F)F)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)15-14(13-9-5-2-6-10-13)21(16(22)23-15)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15+/m1/s1
InChIKeyAUIHAZNDRFQEKP-CABCVRRESA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
5-Benzyl-3-phenyloxazolidin-2-one
CID 21393580
(4S)-3-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 6711953
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752749
(5R)-5-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752750

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 100998256) is (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](C(F)(F)F)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is AUIHAZNDRFQEKP-CABCVRRESA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)15-14(13-9-5-2-6-10-13)21(16(22)23-15)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15+/m1/s1.
What are the key properties of (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 321.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 100998256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).