3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one

C8H14BrNO3 — CID 10490991

IUPAC3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one
SMILESCC(Br)CC(C)N1C(=O)OCC1O
InChIInChI=1S/C8H14BrNO3/c1-5(9)3-6(2)10-7(11)4-13-8(10)12/h5-7,11H,3-4H2,1-2H3
InChIKeyNPOURQDSHCNJIE-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.32
Rot. Bonds3

About 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one

3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one (PubChem CID 10490991) has the molecular formula C8H14BrNO3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one
PubChem CID10490991
Molecular FormulaC8H14BrNO3
Molecular Weight252.11 g/mol
Exact Mass251.02
IUPAC Name3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one
SMILESCC(Br)CC(C)N1C(=O)OCC1O
InChIInChI=1S/C8H14BrNO3/c1-5(9)3-6(2)10-7(11)4-13-8(10)12/h5-7,11H,3-4H2,1-2H3
InChIKeyNPOURQDSHCNJIE-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one (CID 10490991) is 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one is CC(Br)CC(C)N1C(=O)OCC1O.
What is the InChIKey of 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one?
The InChIKey is NPOURQDSHCNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO3/c1-5(9)3-6(2)10-7(11)4-13-8(10)12/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one?
3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one has a molecular weight of 252.11 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopentan-2-yl)-4-hydroxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 10490991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).