3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one

C11H13NO5 — CID 85316873

IUPAC3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1CCOC1=O)C1C=CC(=O)O1
InChIInChI=1S/C11H13NO5/c1-7(8-2-3-10(14)17-8)6-9(13)12-4-5-16-11(12)15/h2-3,7-8H,4-6H2,1H3
InChIKeyDEEFIHQAAMXSEB-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.47
Rot. Bonds3

About 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one

3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 85316873) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID85316873
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1CCOC1=O)C1C=CC(=O)O1
InChIInChI=1S/C11H13NO5/c1-7(8-2-3-10(14)17-8)6-9(13)12-4-5-16-11(12)15/h2-3,7-8H,4-6H2,1H3
InChIKeyDEEFIHQAAMXSEB-UHFFFAOYSA-N
XLogP0.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one (CID 85316873) is 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one is CC(CC(=O)N1CCOC1=O)C1C=CC(=O)O1.
What is the InChIKey of 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DEEFIHQAAMXSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-7(8-2-3-10(14)17-8)6-9(13)12-4-5-16-11(12)15/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 239.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 85316873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).