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

C20H23NO2S — CID 11152022

IUPAC(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSCN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C20H23NO2S/c1-15(2)18-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19(22)21(18)14-24-3/h4-13,15,18H,14H2,1-3H3/t18-/m0/s1
InChIKeyBQOFEURASJMBIK-SFHVURJKSA-N
MW341.48 g/mol
LogP4.73
Rot. Bonds5

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

(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11152022) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11152022
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSCN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C20H23NO2S/c1-15(2)18-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19(22)21(18)14-24-3/h4-13,15,18H,14H2,1-3H3/t18-/m0/s1
InChIKeyBQOFEURASJMBIK-SFHVURJKSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
Ephedroxane
CID 161171
Mlv 3076
CID 128596
3-Pyrrolidinol, 2-methyl-1-phenethyl-3-phenyl-, propionate (ester)
CID 3053132
1,2,4-Trimethyl-3-phenylpyrrolidin-3-yl propanoate
CID 3063630
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
7-Methyl-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 44560643
(4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 9838646
(4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 177727

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11152022) is (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CSCN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BQOFEURASJMBIK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(2)18-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19(22)21(18)14-24-3/h4-13,15,18H,14H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 341.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(methylsulfanylmethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).