(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

C16H20FNO4 — CID 57303500

IUPAC(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)CCF
InChIInChI=1S/C16H20FNO4/c1-11(14(19)7-8-17)15(20)18-13(10-22-16(18)21)9-12-5-3-2-4-6-12/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13-,14+/m0/s1
InChIKeyURYPQPUORVGWIM-FPMFFAJLSA-N
MW309.34 g/mol
LogP1.93
Rot. Bonds6

About (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 57303500) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID57303500
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)CCF
InChIInChI=1S/C16H20FNO4/c1-11(14(19)7-8-17)15(20)18-13(10-22-16(18)21)9-12-5-3-2-4-6-12/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13-,14+/m0/s1
InChIKeyURYPQPUORVGWIM-FPMFFAJLSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (CID 57303500) is (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)CCF.
What is the InChIKey of (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is URYPQPUORVGWIM-FPMFFAJLSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-11(14(19)7-8-17)15(20)18-13(10-22-16(18)21)9-12-5-3-2-4-6-12/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13-,14+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 309.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57303500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).