5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione

C11H16BrNO4 — CID 21468642

IUPAC5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
SMILESCC(C)C1COC(=O)N1C(=O)CCC(=O)CBr
InChIInChI=1S/C11H16BrNO4/c1-7(2)9-6-17-11(16)13(9)10(15)4-3-8(14)5-12/h7,9H,3-6H2,1-2H3
InChIKeyFRKBIFIASRZPOK-UHFFFAOYSA-N
MW306.16 g/mol
LogP1.73
Rot. Bonds5

About 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione

5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione (PubChem CID 21468642) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
PubChem CID21468642
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
SMILESCC(C)C1COC(=O)N1C(=O)CCC(=O)CBr
InChIInChI=1S/C11H16BrNO4/c1-7(2)9-6-17-11(16)13(9)10(15)4-3-8(14)5-12/h7,9H,3-6H2,1-2H3
InChIKeyFRKBIFIASRZPOK-UHFFFAOYSA-N
XLogP1.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione?
The IUPAC name of 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione (CID 21468642) is 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione.
What is the SMILES notation for 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione?
The canonical SMILES for 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione is CC(C)C1COC(=O)N1C(=O)CCC(=O)CBr.
What is the InChIKey of 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione?
The InChIKey is FRKBIFIASRZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4/c1-7(2)9-6-17-11(16)13(9)10(15)4-3-8(14)5-12/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione?
5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione has a molecular weight of 306.16 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione is sourced from PubChem (CID 21468642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).