2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone

C11H18BrNO2 — CID 44558789

IUPAC2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone
SMILESO=C(CBr)C1CC(C2CCCCC2)NO1
InChIInChI=1S/C11H18BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h8-9,11,13H,1-7H2
InChIKeyUOUOLMNUIXDCAY-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.19
Rot. Bonds3

About 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone

2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone (PubChem CID 44558789) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone
PubChem CID44558789
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone
SMILESO=C(CBr)C1CC(C2CCCCC2)NO1
InChIInChI=1S/C11H18BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h8-9,11,13H,1-7H2
InChIKeyUOUOLMNUIXDCAY-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.19
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 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone?
The IUPAC name of 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone (CID 44558789) is 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone?
The canonical SMILES for 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone is O=C(CBr)C1CC(C2CCCCC2)NO1.
What is the InChIKey of 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone?
The InChIKey is UOUOLMNUIXDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h8-9,11,13H,1-7H2.
What are the key properties of 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone?
2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone has a molecular weight of 276.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-cyclohexyl-1,2-oxazolidin-5-yl)ethanone is sourced from PubChem (CID 44558789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).