(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one

C20H20FNO3Se — CID 101483713

IUPAC(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(F)C([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20FNO3Se/c1-14(21)18(26-17-10-6-3-7-11-17)19(23)22-16(13-25-20(22)24)12-15-8-4-2-5-9-15/h2-11,14,16,18H,12-13H2,1H3/t14?,16-,18?/m0/s1
InChIKeyOSZOKSYKYKFGLO-HQVVEAJESA-N
MW420.34 g/mol
LogP2.75
Rot. Bonds6

About (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 101483713) has the molecular formula C20H20FNO3Se and a molecular weight of 420.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID101483713
Molecular FormulaC20H20FNO3Se
Molecular Weight420.34 g/mol
Exact Mass421.06
IUPAC Name(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(F)C([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20FNO3Se/c1-14(21)18(26-17-10-6-3-7-11-17)19(23)22-16(13-25-20(22)24)12-15-8-4-2-5-9-15/h2-11,14,16,18H,12-13H2,1H3/t14?,16-,18?/m0/s1
InChIKeyOSZOKSYKYKFGLO-HQVVEAJESA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one (CID 101483713) is (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one is CC(F)C([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is OSZOKSYKYKFGLO-HQVVEAJESA-N. The full InChI is InChI=1S/C20H20FNO3Se/c1-14(21)18(26-17-10-6-3-7-11-17)19(23)22-16(13-25-20(22)24)12-15-8-4-2-5-9-15/h2-11,14,16,18H,12-13H2,1H3/t14?,16-,18?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 420.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).