3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one

C12H15NO5 — CID 15327400

IUPAC3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESCC1=C[C@@H]([C@H](C)CC(=O)N2CCOC2=O)OC1=O
InChIInChI=1S/C12H15NO5/c1-7(9-5-8(2)11(15)18-9)6-10(14)13-3-4-17-12(13)16/h5,7,9H,3-4,6H2,1-2H3/t7-,9+/m1/s1
InChIKeyKZARBQJOSMDRFS-APPZFPTMSA-N
MW253.25 g/mol
LogP0.86
Rot. Bonds3

About 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 15327400) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID15327400
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESCC1=C[C@@H]([C@H](C)CC(=O)N2CCOC2=O)OC1=O
InChIInChI=1S/C12H15NO5/c1-7(9-5-8(2)11(15)18-9)6-10(14)13-3-4-17-12(13)16/h5,7,9H,3-4,6H2,1-2H3/t7-,9+/m1/s1
InChIKeyKZARBQJOSMDRFS-APPZFPTMSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 15327400) is 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one is CC1=C[C@@H]([C@H](C)CC(=O)N2CCOC2=O)OC1=O.
What is the InChIKey of 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KZARBQJOSMDRFS-APPZFPTMSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(9-5-8(2)11(15)18-9)6-10(14)13-3-4-17-12(13)16/h5,7,9H,3-4,6H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 253.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).