[1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate

C26H32BrNO9 — CID 4614357

About [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate

[1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate (PubChem CID 4614357) has the molecular formula C26H32BrNO9 and a molecular weight of 582.44 g/mol. Its IUPAC name is [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate.

Molecular Properties

• Compound Name: [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate
• PubChem CID: 4614357
• Molecular Formula: C26H32BrNO9
• Molecular Weight: 582.44 g/mol
• Exact Mass: 581.13
• IUPAC Name: [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate
• SMILES: CC(=O)OC(c1cc(Br)c(CCCOCCOCCO)o1)C(C)C(=O)N1C(=O)OCC1c1ccccc1
• InChI: InChI=1S/C26H32BrNO9/c1-17(25(31)28-21(16-35-26(28)32)19-7-4-3-5-8-19)24(36-18(2)30)23-15-20(27)22(37-23)9-6-11-33-13-14-34-12-10-29/h3-5,7-8,15,17,21,24,29H,6,9-14,16H2,1-2H3
• InChIKey: PWTQOANUUHFPKK-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 124.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.44
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate?

The IUPAC name of [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate (CID 4614357) is [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate.

What is the SMILES notation for [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate?

The canonical SMILES for [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate is CC(=O)OC(c1cc(Br)c(CCCOCCOCCO)o1)C(C)C(=O)N1C(=O)OCC1c1ccccc1.

What is the InChIKey of [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate?

The InChIKey is PWTQOANUUHFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrNO9/c1-17(25(31)28-21(16-35-26(28)32)19-7-4-3-5-8-19)24(36-18(2)30)23-15-20(27)22(37-23)9-6-11-33-13-14-34-12-10-29/h3-5,7-8,15,17,21,24,29H,6,9-14,16H2,1-2H3.

What are the key properties of [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate?

[1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate has a molecular weight of 582.44 g/mol, XLogP of 3.96, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate is sourced from PubChem (CID 4614357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).