[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

C11H12FNO5S — CID 10979109

IUPAC[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyCFETZFKXUAYQDX-SNVBAGLBSA-N
MW289.28 g/mol
LogP1.13
Rot. Bonds4

About [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (PubChem CID 10979109) has the molecular formula C11H12FNO5S and a molecular weight of 289.28 g/mol. Its IUPAC name is [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
PubChem CID10979109
Molecular FormulaC11H12FNO5S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyCFETZFKXUAYQDX-SNVBAGLBSA-N
XLogP1.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The IUPAC name of [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (CID 10979109) is [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.
What is the SMILES notation for [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The canonical SMILES for [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The InChIKey is CFETZFKXUAYQDX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate has a molecular weight of 289.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is sourced from PubChem (CID 10979109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).