3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one

C12H15NO5 — CID 102072838

IUPAC3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@]1(CCC(=O)N2CCOC2=O)C=CC(=O)O1
InChIInChI=1S/C12H15NO5/c1-2-12(6-4-10(15)18-12)5-3-9(14)13-7-8-17-11(13)16/h4,6H,2-3,5,7-8H2,1H3/t12-/m1/s1
InChIKeyTUVSKOLFFIQJNO-GFCCVEGCSA-N
MW253.25 g/mol
LogP1.01
Rot. Bonds4

About 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one

3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 102072838) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID102072838
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@]1(CCC(=O)N2CCOC2=O)C=CC(=O)O1
InChIInChI=1S/C12H15NO5/c1-2-12(6-4-10(15)18-12)5-3-9(14)13-7-8-17-11(13)16/h4,6H,2-3,5,7-8H2,1H3/t12-/m1/s1
InChIKeyTUVSKOLFFIQJNO-GFCCVEGCSA-N
XLogP1.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-4,4,4-trifluoro-3-[(2S)-2-methyl-5-oxofuran-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 134946660
3-[(3R)-3-[(2R)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 10922625
3-[(3S)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 11139199
3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 15327400
3-[3-(5-oxo-2H-furan-2-yl)butanoyl]-1,3-oxazolidin-2-one
CID 85316873
3-[(3S)-3-[(2R)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146578
3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146579
3-[3-[(2S)-5-oxo-2H-furan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101748248
3-[3-[(2R)-5-oxo-2H-furan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101758953
ethyl 2-[(2S)-2-methyl-5-oxofuran-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 177568153

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one (CID 102072838) is 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one is CC[C@@]1(CCC(=O)N2CCOC2=O)C=CC(=O)O1.
What is the InChIKey of 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is TUVSKOLFFIQJNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO5/c1-2-12(6-4-10(15)18-12)5-3-9(14)13-7-8-17-11(13)16/h4,6H,2-3,5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one?
3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 253.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-ethyl-5-oxofuran-2-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).