(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one

C13H15NO3S — CID 11832333

IUPAC(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H15NO3S/c1-9-12(10-6-4-3-5-7-10)17-13(16)14(9)11(15)8-18-2/h3-7,9,12H,8H2,1-2H3/t9-,12-/m1/s1
InChIKeyKFPCDMIOVVDLMS-BXKDBHETSA-N
MW265.33 g/mol
LogP2.46
Rot. Bonds3

About (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11832333) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11832333
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H15NO3S/c1-9-12(10-6-4-3-5-7-10)17-13(16)14(9)11(15)8-18-2/h3-7,9,12H,8H2,1-2H3/t9-,12-/m1/s1
InChIKeyKFPCDMIOVVDLMS-BXKDBHETSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-3-(2-ethoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13438718
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4S,5R)-4-methyl-3-[(3R)-4-methyl-3-phenylpentanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 102352854
(4R,5S)-4-methyl-3-[(4S)-4-methylhexanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57040880
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
(4R,5S)-4-methyl-3-[2-[4-(2-methylpropyl)phenyl]acetyl]-5-phenyl-1,3-oxazolidin-2-one
CID 11573880
S-(3-sulfanylpropyl) 4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutanethioate
CID 10067553
(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 91169232
(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11806905
4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one
CID 15290761
(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 139264012

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one (CID 11832333) is (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one is CSCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KFPCDMIOVVDLMS-BXKDBHETSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-12(10-6-4-3-5-7-10)17-13(16)14(9)11(15)8-18-2/h3-7,9,12H,8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11832333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).