3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one

C20H24FNO2Si — CID 162406451

IUPAC3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)c1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1
InChIInChI=1S/C20H24FNO2Si/c1-25(2,3)17-11-9-16(10-12-17)19(22-13-14-24-20(22)23)18(21)15-7-5-4-6-8-15/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyLZEMSHMPPSGOPJ-RBUKOAKNSA-N
MW357.50 g/mol
LogP4.44
Rot. Bonds5

About 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one

3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 162406451) has the molecular formula C20H24FNO2Si and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID162406451
Molecular FormulaC20H24FNO2Si
Molecular Weight357.50 g/mol
Exact Mass357.16
IUPAC Name3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)c1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1
InChIInChI=1S/C20H24FNO2Si/c1-25(2,3)17-11-9-16(10-12-17)19(22-13-14-24-20(22)23)18(21)15-7-5-4-6-8-15/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyLZEMSHMPPSGOPJ-RBUKOAKNSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(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
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812
(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591813

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one (CID 162406451) is 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one is C[Si](C)(C)c1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1.
What is the InChIKey of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LZEMSHMPPSGOPJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24FNO2Si/c1-25(2,3)17-11-9-16(10-12-17)19(22-13-14-24-20(22)23)18(21)15-7-5-4-6-8-15/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one?
3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 357.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162406451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).