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

C19H18FNO3Se — CID 139264969

IUPAC(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)C(CF)[Se]c1ccccc1
InChIInChI=1S/C19H18FNO3Se/c20-12-17(25-16-9-5-2-6-10-16)18(22)21-15(13-24-19(21)23)11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,17?/m0/s1
InChIKeyRADFAMKDTDOQOE-MYJWUSKBSA-N
MW406.32 g/mol
LogP2.36
Rot. Bonds6

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

(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 139264969) has the molecular formula C19H18FNO3Se and a molecular weight of 406.32 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID139264969
Molecular FormulaC19H18FNO3Se
Molecular Weight406.32 g/mol
Exact Mass407.04
IUPAC Name(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)C(CF)[Se]c1ccccc1
InChIInChI=1S/C19H18FNO3Se/c20-12-17(25-16-9-5-2-6-10-16)18(22)21-15(13-24-19(21)23)11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,17?/m0/s1
InChIKeyRADFAMKDTDOQOE-MYJWUSKBSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-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)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one (CID 139264969) is (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(=O)C(CF)[Se]c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is RADFAMKDTDOQOE-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H18FNO3Se/c20-12-17(25-16-9-5-2-6-10-16)18(22)21-15(13-24-19(21)23)11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2/t15-,17?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 406.32 g/mol, XLogP of 2.36, 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-phenylselanylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139264969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).