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

C11H13NO5 — CID 101146579

IUPAC3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)[C@H]1C=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/t7-,8-/m1/s1
InChIKeyDEEFIHQAAMXSEB-HTQZYQBOSA-N
MW239.23 g/mol
LogP0.47
Rot. Bonds3

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

3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 101146579) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID101146579
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)[C@H]1C=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/t7-,8-/m1/s1
InChIKeyDEEFIHQAAMXSEB-HTQZYQBOSA-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

Analyze 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3S)-4,4,4-trifluoro-3-[(2S)-2-methyl-5-oxofuran-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 134946660
3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
CID 86223144
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 101146579) is 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)[C@H]1C=CC(=O)O1.
What is the InChIKey of 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DEEFIHQAAMXSEB-HTQZYQBOSA-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/t7-,8-/m1/s1.
What are the key properties of 3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-[(2S)-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-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101146579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).