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

C21H25NO2S — CID 10832063

IUPAC(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSC(C)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H25NO2S/c1-15(2)19-21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-20(23)22(19)16(3)25-4/h5-16,19H,1-4H3/t16?,19-/m0/s1
InChIKeyKIQCNMWKVNTJOT-CVMIBEPCSA-N
MW355.50 g/mol
LogP5.12
Rot. Bonds5

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

(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10832063) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10832063
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSC(C)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H25NO2S/c1-15(2)19-21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-20(23)22(19)16(3)25-4/h5-16,19H,1-4H3/t16?,19-/m0/s1
InChIKeyKIQCNMWKVNTJOT-CVMIBEPCSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10832063) is (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CSC(C)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KIQCNMWKVNTJOT-CVMIBEPCSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-15(2)19-21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-20(23)22(19)16(3)25-4/h5-16,19H,1-4H3/t16?,19-/m0/s1.
What are the key properties of (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 355.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10832063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).