3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one

C18H18FNO2 — CID 162406456

IUPAC3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1
InChIInChI=1S/C18H18FNO2/c1-13-7-9-15(10-8-13)17(20-11-12-22-18(20)21)16(19)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyLQECNEKTGRXFIK-DLBZAZTESA-N
MW299.35 g/mol
LogP4.20
Rot. Bonds4

About 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one

3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 162406456) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID162406456
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1
InChIInChI=1S/C18H18FNO2/c1-13-7-9-15(10-8-13)17(20-11-12-22-18(20)21)16(19)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyLQECNEKTGRXFIK-DLBZAZTESA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

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-cyclopentyl-oxazolidin-2-one
CID 74538762
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
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-cyclopropyl-oxazolidin-2-one
CID 76072443

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one (CID 162406456) is 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one is Cc1ccc([C@H]([C@@H](F)c2ccccc2)N2CCOC2=O)cc1.
What is the InChIKey of 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is LQECNEKTGRXFIK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-7-9-15(10-8-13)17(20-11-12-22-18(20)21)16(19)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one?
3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 4.20, 4 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-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162406456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).