(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one

C24H23NO2S — CID 141214506

IUPAC(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1CCSc1ccccc1
InChIInChI=1S/C24H23NO2S/c26-24-25(16-17-28-21-14-8-3-9-15-21)22(18-27-24)23(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-/m1/s1
InChIKeyZSEULAZBPDSPDA-JOCHJYFZSA-N
MW389.52 g/mol
LogP5.43
Rot. Bonds7

About (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one

(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 141214506) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID141214506
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1CCSc1ccccc1
InChIInChI=1S/C24H23NO2S/c26-24-25(16-17-28-21-14-8-3-9-15-21)22(18-27-24)23(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-/m1/s1
InChIKeyZSEULAZBPDSPDA-JOCHJYFZSA-N
XLogP5.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 69403680
Tert-butyl 5-(benzenesulfinylmethyl)-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69406289
(4S)-4-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 69819296
4-[[4-(4-Fluorophenyl)sulfanylphenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 69819302
tert-butyl (4S,5S)-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 70310677
tert-butyl (4S,5S)-5-(benzenesulfinylmethyl)-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 70313806
Tert-butyl 4-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91174233
tert-butyl (4S)-4-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140475622
(4S)-4-benzyl-3-[(3R,4R)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carbonyl]-1,3-oxazolidin-2-one
CID 10411709
(4S)-5,5-diphenyl-3-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10525228
(4S)-3-[(2R,3R)-2-methyl-3-phenyl-3-phenylsulfanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15935695
(4S)-3-[(2S,3R)-2-methyl-3-phenyl-3-phenylsulfanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15935696

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one (CID 141214506) is (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1CCSc1ccccc1.
What is the InChIKey of (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZSEULAZBPDSPDA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23NO2S/c26-24-25(16-17-28-21-14-8-3-9-15-21)22(18-27-24)23(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one?
(4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 389.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-3-(2-phenylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141214506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).