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

C15H19NO3Se — CID 640416

IUPAC(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@@H](C)[Se]c1ccccc1
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/t11-,13+/m1/s1
InChIKeyFCFBVCADIWBGLR-YPMHNXCESA-N
MW340.28 g/mol
LogP1.83
Rot. Bonds4

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

(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 640416) has the molecular formula C15H19NO3Se and a molecular weight of 340.28 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID640416
Molecular FormulaC15H19NO3Se
Molecular Weight340.28 g/mol
Exact Mass341.05
IUPAC Name(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@@H](C)[Se]c1ccccc1
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/t11-,13+/m1/s1
InChIKeyFCFBVCADIWBGLR-YPMHNXCESA-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

N-carbethoxy-2-phenylselenomethylpyrrolidine
CID 12630577
(S)-4-Isopropyl-3-(3-phenylacryloyl)oxazolidin-2-one
CID 10355199
(S)-4-isopropyl-3-(3-phenylpropanoyl)oxazolidin-2-one
CID 10467835
(4S)-4-Benzyl-3-isovaleryloxazolidin-2-one
CID 11108107
(4R)-4-Benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 11391340
(R)-4-Benzyl-3-((R)-2-methylbut-3-enoyl)oxazolidin-2-one
CID 44248975
(S)-4-Benzyl-3-isobutyryloxazolidin-2-one
CID 11436562
R-4-benzyl-3-isobutyryloxazolidin-2-one
CID 59110719
(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10402611
Se-phenyl 2-oxo-1,3-oxazolidine-3-carboselenoate
CID 11054726
(4S)-3-[(E)-3-phenylbut-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12101380
(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15935693

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 640416) is (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)[C@@H](C)[Se]c1ccccc1.
What is the InChIKey of (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FCFBVCADIWBGLR-YPMHNXCESA-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/t11-,13+/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-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 (4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 640416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).