(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one

C25H43NO2SSn — CID 10984384

IUPAC(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)C(CCSC)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C13H16NO2S.3C4H9.Sn/c1-17-9-5-8-14-12(10-16-13(14)15)11-6-3-2-4-7-11;3*1-3-4-2;/h2-4,6-8,12H,5,9-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyCJDYTEOXMLPBCP-HHUWXINPSA-N
MW540.40 g/mol
LogP7.69
Rot. Bonds15

About (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10984384) has the molecular formula C25H43NO2SSn and a molecular weight of 540.40 g/mol. Its IUPAC name is (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10984384
Molecular FormulaC25H43NO2SSn
Molecular Weight540.40 g/mol
Exact Mass541.20
IUPAC Name(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)C(CCSC)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C13H16NO2S.3C4H9.Sn/c1-17-9-5-8-14-12(10-16-13(14)15)11-6-3-2-4-7-11;3*1-3-4-2;/h2-4,6-8,12H,5,9-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyCJDYTEOXMLPBCP-HHUWXINPSA-N
XLogP7.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.40
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
(4R)-3-[(2S)-1-nitropropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 100948483
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4R)-3-[(2S,3R)-3-nitro-5-phenylpentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 102304511
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139115424
methyl (2S)-4-acetyloxy-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylbutanoate
CID 11188683
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one (CID 10984384) is (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one is CCCC[Sn](CCCC)(CCCC)C(CCSC)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CJDYTEOXMLPBCP-HHUWXINPSA-N. The full InChI is InChI=1S/C13H16NO2S.3C4H9.Sn/c1-17-9-5-8-14-12(10-16-13(14)15)11-6-3-2-4-7-11;3*1-3-4-2;/h2-4,6-8,12H,5,9-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 540.40 g/mol, XLogP of 7.69, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10984384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).