[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate

C12H9BrFNO5 — CID 8987566

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H9BrFNO5/c13-9-2-1-7(14)5-8(9)11(17)20-6-10(16)15-3-4-19-12(15)18/h1-2,5H,3-4,6H2
InChIKeyZDBNWLLYPMXDQH-UHFFFAOYSA-N
MW346.11 g/mol
LogP1.72
Rot. Bonds3

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate (PubChem CID 8987566) has the molecular formula C12H9BrFNO5 and a molecular weight of 346.11 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate
PubChem CID8987566
Molecular FormulaC12H9BrFNO5
Molecular Weight346.11 g/mol
Exact Mass344.96
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H9BrFNO5/c13-9-2-1-7(14)5-8(9)11(17)20-6-10(16)15-3-4-19-12(15)18/h1-2,5H,3-4,6H2
InChIKeyZDBNWLLYPMXDQH-UHFFFAOYSA-N
XLogP1.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate (CID 8987566) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate is O=C(OCC(=O)N1CCOC1=O)c1cc(F)ccc1Br.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate?
The InChIKey is ZDBNWLLYPMXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO5/c13-9-2-1-7(14)5-8(9)11(17)20-6-10(16)15-3-4-19-12(15)18/h1-2,5H,3-4,6H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate has a molecular weight of 346.11 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate is sourced from PubChem (CID 8987566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).