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

C24H28BrNO8 — CID 4191010

About [1-[4-bromo-5-[3-(2-hydroxyethoxy)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-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate (PubChem CID 4191010) has the molecular formula C24H28BrNO8 and a molecular weight of 538.39 g/mol. Its IUPAC name is [1-[4-bromo-5-[3-(2-hydroxyethoxy)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-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate
• PubChem CID: 4191010
• Molecular Formula: C24H28BrNO8
• Molecular Weight: 538.39 g/mol
• Exact Mass: 537.10
• IUPAC Name: [1-[4-bromo-5-[3-(2-hydroxyethoxy)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(CCCOCCO)o1)C(C)C(=O)N1C(=O)OCC1c1ccccc1
• InChI: InChI=1S/C24H28BrNO8/c1-15(23(29)26-19(14-32-24(26)30)17-7-4-3-5-8-17)22(33-16(2)28)21-13-18(25)20(34-21)9-6-11-31-12-10-27/h3-5,7-8,13,15,19,22,27H,6,9-12,14H2,1-2H3
• InChIKey: VOVQGHYWFYMTOH-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 115.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.39
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-hydroxyethoxy)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-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl] acetate (CID 4191010) is [1-[4-bromo-5-[3-(2-hydroxyethoxy)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-hydroxyethoxy)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-hydroxyethoxy)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(CCCOCCO)o1)C(C)C(=O)N1C(=O)OCC1c1ccccc1.

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

The InChIKey is VOVQGHYWFYMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrNO8/c1-15(23(29)26-19(14-32-24(26)30)17-7-4-3-5-8-17)22(33-16(2)28)21-13-18(25)20(34-21)9-6-11-31-12-10-27/h3-5,7-8,13,15,19,22,27H,6,9-12,14H2,1-2H3.

What are the key properties of [1-[4-bromo-5-[3-(2-hydroxyethoxy)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-hydroxyethoxy)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 538.39 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-bromo-5-[3-(2-hydroxyethoxy)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 4191010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).