(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one

C19H19NO5S — CID 67955755

IUPAC(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO5S/c1-26(23,24)17-9-7-15(8-10-17)12-18(21)20-16(13-25-19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyDWDUPOFEONWVGR-INIZCTEOSA-N
MW373.43 g/mol
LogP2.22
Rot. Bonds5

About (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 67955755) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID67955755
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO5S/c1-26(23,24)17-9-7-15(8-10-17)12-18(21)20-16(13-25-19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyDWDUPOFEONWVGR-INIZCTEOSA-N
XLogP2.22
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one (CID 67955755) is (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is DWDUPOFEONWVGR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-26(23,24)17-9-7-15(8-10-17)12-18(21)20-16(13-25-19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 373.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(4-methylsulfonylphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67955755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).