(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C18H16FNO3 — CID 11077869

IUPAC(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](F)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-12-16(14-10-6-3-7-11-14)23-18(22)20(12)17(21)15(19)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t12-,15-,16-/m0/s1
InChIKeyYVKPEKSKIPDZLO-RCBQFDQVSA-N
MW313.33 g/mol
LogP3.81
Rot. Bonds3

About (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11077869) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11077869
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](F)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-12-16(14-10-6-3-7-11-14)23-18(22)20(12)17(21)15(19)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t12-,15-,16-/m0/s1
InChIKeyYVKPEKSKIPDZLO-RCBQFDQVSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 11077869) is (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](F)c1ccccc1.
What is the InChIKey of (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YVKPEKSKIPDZLO-RCBQFDQVSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-12-16(14-10-6-3-7-11-14)23-18(22)20(12)17(21)15(19)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t12-,15-,16-/m0/s1.
What are the key properties of (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11077869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).