[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate

C19H19NO4S — CID 148653520

IUPAC[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate
SMILESCSCC[C@H]1C(=O)O[C@H](c2ccccc2)N1OC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-25-13-12-16-19(22)23-17(14-8-4-2-5-9-14)20(16)24-18(21)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyNMJHIOHOFBSLHD-DLBZAZTESA-N
MW357.43 g/mol
LogP3.44
Rot. Bonds6

About [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate

[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate (PubChem CID 148653520) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate
PubChem CID148653520
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate
SMILESCSCC[C@H]1C(=O)O[C@H](c2ccccc2)N1OC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-25-13-12-16-19(22)23-17(14-8-4-2-5-9-14)20(16)24-18(21)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyNMJHIOHOFBSLHD-DLBZAZTESA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate with MolForge

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Related Compounds

1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299
(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451609
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797
[(2S)-5-ethyl-3,3-dimethyl-6-oxo-2-phenyl-2H-pyran-4-yl] benzoate
CID 1038866
(2R)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451639
2-[(4S)-2-[(1S)-1-benzoyloxypropyl]-5-oxo-1,3-oxathiolan-4-yl]acetic acid
CID 122692940
tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526
CID 162308474
CID 162308474
(3-methylsulfanyl-5-oxo-2H-furan-4-yl) benzoate
CID 121012601
methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
CID 67247978

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate?
The IUPAC name of [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate (CID 148653520) is [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate.
What is the SMILES notation for [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate?
The canonical SMILES for [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate is CSCC[C@H]1C(=O)O[C@H](c2ccccc2)N1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate?
The InChIKey is NMJHIOHOFBSLHD-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19NO4S/c1-25-13-12-16-19(22)23-17(14-8-4-2-5-9-14)20(16)24-18(21)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate?
[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate has a molecular weight of 357.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate is sourced from PubChem (CID 148653520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).