(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one

C19H19NO3S — CID 135017046

IUPAC(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Sc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO3S/c1-14(24-17-10-6-3-7-11-17)18(21)20-16(13-23-19(20)22)12-15-8-4-2-5-9-15/h2-11,14,16H,12-13H2,1H3/t14?,16-/m0/s1
InChIKeyRSYWWZYUMJZWLD-WMCAAGNKSA-N
MW341.43 g/mol
LogP3.76
Rot. Bonds5

About (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 135017046) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID135017046
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Sc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO3S/c1-14(24-17-10-6-3-7-11-17)18(21)20-16(13-23-19(20)22)12-15-8-4-2-5-9-15/h2-11,14,16H,12-13H2,1H3/t14?,16-/m0/s1
InChIKeyRSYWWZYUMJZWLD-WMCAAGNKSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-benzyl-3-(3-fluoro-2-phenylselanylbutanoyl)-1,3-oxazolidin-2-one
CID 101483713
(4S)-4-benzyl-3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
CID 11004387
(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
CID 11023283
tert-butyl (4S,5S)-5-[acetyloxy(phenylsulfanyl)methyl]-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25067951
(4S)-3-[2-[(2R)-2-(4-fluorophenyl)propyl]sulfanylacetyl]-4-phenyl-1,3-oxazolidin-2-one
CID 57697255
(4S)-4-benzyl-3-[(2S,3S)-4,4,4-trifluoro-2-(4-fluorophenyl)sulfonyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 68833303
Tert-butyl 4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 69403680
Tert-butyl 5-[acetyloxy(phenylsulfanyl)methyl]-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69406047
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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one (CID 135017046) is (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one is CC(Sc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is RSYWWZYUMJZWLD-WMCAAGNKSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14(24-17-10-6-3-7-11-17)18(21)20-16(13-23-19(20)22)12-15-8-4-2-5-9-15/h2-11,14,16H,12-13H2,1H3/t14?,16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135017046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).