(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C25H25NO2S — CID 10525228

IUPAC(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(CSc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-19(2)23-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)28-24(27)26(23)18-29-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3/t23-/m0/s1
InChIKeySAFAFNFFUMRCEX-QHCPKHFHSA-N
MW403.55 g/mol
LogP6.16
Rot. Bonds6

About (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10525228) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10525228
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(CSc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-19(2)23-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)28-24(27)26(23)18-29-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3/t23-/m0/s1
InChIKeySAFAFNFFUMRCEX-QHCPKHFHSA-N
XLogP6.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-[(1S,2S)-2-hydroxy-2-phenyl-1-phenylsulfanylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10744274
(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11152022
(4S)-3-[(1S,2S)-2-(methoxymethoxy)-1-methylsulfanyl-2-phenylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11202681
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11418525
(4S)-3-[(1S,2S)-2-hydroxy-1-methylsulfanyl-2-phenylpropyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11431138
(4S)-3-[(1S,2R)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11452694
(4S)-3-[(1S,2S)-2-hydroxy-1-methylsulfanyl-2-phenylethyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893984
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbut-3-enyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893985
(S)-3-acetyl-4-isopropyl-5,5-diphenyloxazolidin-2-one
CID 15432494
(4S)-3-methyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59426821
(4S)-5,5-diphenyl-4-propan-2-yl-3-[(1S,2S)-3,3,3-trifluoro-2-hydroxy-1-methylsulfanyl-2-phenylpropyl]-1,3-oxazolidin-2-one
CID 101717669
tert-Butyl-(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylthiophenyl)-1,3-oxazolidine-3-carboxylate
CID 68718131

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10525228) is (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(CSc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SAFAFNFFUMRCEX-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-19(2)23-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)28-24(27)26(23)18-29-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3/t23-/m0/s1.
What are the key properties of (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 403.55 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10525228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).