3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C15H19NO3Se — CID 22298317

IUPAC3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC([Se]c1ccccc1)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C15H19NO3Se/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyFCFBVCADIWBGLR-UHFFFAOYSA-N
MW340.28 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 22298317) has the molecular formula C15H19NO3Se and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID22298317
Molecular FormulaC15H19NO3Se
Molecular Weight340.28 g/mol
Exact Mass341.05
IUPAC Name3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC([Se]c1ccccc1)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C15H19NO3Se/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyFCFBVCADIWBGLR-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23256057
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555
3-[2-[(S)-methylsulfanyl(phenyl)methyl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67883241
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
CID 58822322
CID 58822322

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 22298317) is 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC([Se]c1ccccc1)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FCFBVCADIWBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3Se/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3.
What are the key properties of 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 340.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22298317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).