[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate

C20H21NO6S — CID 56594939

IUPAC[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate
SMILESCC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H21NO6S/c1-14(22)27-19(16-8-10-17(11-9-16)28(2,24)25)18-13-26-20(23)21(18)12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyRUCDLSNGXAXVRH-RTBURBONSA-N
MW403.46 g/mol
LogP2.72
Rot. Bonds6

About [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate

[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate (PubChem CID 56594939) has the molecular formula C20H21NO6S and a molecular weight of 403.46 g/mol. Its IUPAC name is [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate.

Molecular Properties

Compound Name[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate
PubChem CID56594939
Molecular FormulaC20H21NO6S
Molecular Weight403.46 g/mol
Exact Mass403.11
IUPAC Name[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate
SMILESCC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H21NO6S/c1-14(22)27-19(16-8-10-17(11-9-16)28(2,24)25)18-13-26-20(23)21(18)12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3/t18-,19-/m1/s1
InChIKeyRUCDLSNGXAXVRH-RTBURBONSA-N
XLogP2.72
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate?
The IUPAC name of [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate (CID 56594939) is [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate.
What is the SMILES notation for [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate?
The canonical SMILES for [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate is CC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate?
The InChIKey is RUCDLSNGXAXVRH-RTBURBONSA-N. The full InChI is InChI=1S/C20H21NO6S/c1-14(22)27-19(16-8-10-17(11-9-16)28(2,24)25)18-13-26-20(23)21(18)12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate?
[(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate has a molecular weight of 403.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(4-methylsulfonylphenyl)methyl] acetate is sourced from PubChem (CID 56594939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).