(4S)-4-acetyl-1,3-oxazolidin-2-one

C5H7NO3 — CID 66831189

IUPAC(4S)-4-acetyl-1,3-oxazolidin-2-one
SMILESCC(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C5H7NO3/c1-3(7)4-2-9-5(8)6-4/h4H,2H2,1H3,(H,6,8)/t4-/m0/s1
InChIKeyFCVBTNQDBPMCCJ-BYPYZUCNSA-N
MW129.11 g/mol
LogP-0.32
Rot. Bonds1

About (4S)-4-acetyl-1,3-oxazolidin-2-one

(4S)-4-acetyl-1,3-oxazolidin-2-one (PubChem CID 66831189) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (4S)-4-acetyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-acetyl-1,3-oxazolidin-2-one
PubChem CID66831189
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(4S)-4-acetyl-1,3-oxazolidin-2-one
SMILESCC(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C5H7NO3/c1-3(7)4-2-9-5(8)6-4/h4H,2H2,1H3,(H,6,8)/t4-/m0/s1
InChIKeyFCVBTNQDBPMCCJ-BYPYZUCNSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-acetyl-1,3-oxazolidin-2-one (CID 66831189) is (4S)-4-acetyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-acetyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-acetyl-1,3-oxazolidin-2-one is CC(=O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-acetyl-1,3-oxazolidin-2-one?
The InChIKey is FCVBTNQDBPMCCJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3(7)4-2-9-5(8)6-4/h4H,2H2,1H3,(H,6,8)/t4-/m0/s1.
What are the key properties of (4S)-4-acetyl-1,3-oxazolidin-2-one?
(4S)-4-acetyl-1,3-oxazolidin-2-one has a molecular weight of 129.11 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 66831189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).