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

C21H30BrNO8 — CID 6709295

IUPAC[(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)O[C@@H](c1cc(Br)c(CCCOCCO)o1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C21H30BrNO8/c1-12(2)16-11-29-21(27)23(16)20(26)13(3)19(30-14(4)25)18-10-15(22)17(31-18)6-5-8-28-9-7-24/h10,12-13,16,19,24H,5-9,11H2,1-4H3/t13-,16+,19-/m1/s1
InChIKeyNBIZNCGOPXYYLM-ACWOFJMJSA-N
MW504.37 g/mol
LogP3.23
Rot. Bonds11

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

[(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate (PubChem CID 6709295) has the molecular formula C21H30BrNO8 and a molecular weight of 504.37 g/mol. Its IUPAC name is [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
PubChem CID6709295
Molecular FormulaC21H30BrNO8
Molecular Weight504.37 g/mol
Exact Mass503.12
IUPAC Name[(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)O[C@@H](c1cc(Br)c(CCCOCCO)o1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C21H30BrNO8/c1-12(2)16-11-29-21(27)23(16)20(26)13(3)19(30-14(4)25)18-10-15(22)17(31-18)6-5-8-28-9-7-24/h10,12-13,16,19,24H,5-9,11H2,1-4H3/t13-,16+,19-/m1/s1
InChIKeyNBIZNCGOPXYYLM-ACWOFJMJSA-N
XLogP3.23
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The IUPAC name of [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate (CID 6709295) is [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate.
What is the SMILES notation for [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The canonical SMILES for [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate is CC(=O)O[C@@H](c1cc(Br)c(CCCOCCO)o1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The InChIKey is NBIZNCGOPXYYLM-ACWOFJMJSA-N. The full InChI is InChI=1S/C21H30BrNO8/c1-12(2)16-11-29-21(27)23(16)20(26)13(3)19(30-14(4)25)18-10-15(22)17(31-18)6-5-8-28-9-7-24/h10,12-13,16,19,24H,5-9,11H2,1-4H3/t13-,16+,19-/m1/s1.
What are the key properties of [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
[(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate has a molecular weight of 504.37 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[4-bromo-5-[3-(2-hydroxyethoxy)propyl]furan-2-yl]-2-methyl-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate is sourced from PubChem (CID 6709295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).