[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate

C13H13NO7S — CID 8886975

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H13NO7S/c1-22(18,19)10-4-2-9(3-5-10)12(16)21-8-11(15)14-6-7-20-13(14)17/h2-5H,6-8H2,1H3
InChIKeyTULFFWLXZCXXQH-UHFFFAOYSA-N
MW327.31 g/mol
LogP0.23
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate (PubChem CID 8886975) has the molecular formula C13H13NO7S and a molecular weight of 327.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate
PubChem CID8886975
Molecular FormulaC13H13NO7S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H13NO7S/c1-22(18,19)10-4-2-9(3-5-10)12(16)21-8-11(15)14-6-7-20-13(14)17/h2-5H,6-8H2,1H3
InChIKeyTULFFWLXZCXXQH-UHFFFAOYSA-N
XLogP0.23
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8974949
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8950440
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2668461
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
CID 8647221
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8949664
(2-methoxy-2-oxoethyl) 4-methylsulfonylbenzoate
CID 42404573
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 8972771
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 8945073
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557461

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate (CID 8886975) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate is CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate?
The InChIKey is TULFFWLXZCXXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO7S/c1-22(18,19)10-4-2-9(3-5-10)12(16)21-8-11(15)14-6-7-20-13(14)17/h2-5H,6-8H2,1H3.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate has a molecular weight of 327.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate is sourced from PubChem (CID 8886975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).