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

C5H9NO2 — CID 7832546

IUPAC(4S)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1
InChIInChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyCRHQYASHOICRND-BYPYZUCNSA-N
MW115.13 g/mol
LogP0.50
Rot. Bonds1

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

(4S)-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 7832546) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S)-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-1,3-oxazolidin-2-one
PubChem CID7832546
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1
InChIInChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyCRHQYASHOICRND-BYPYZUCNSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-1,3-oxazolidin-2-one (CID 7832546) is (4S)-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is CRHQYASHOICRND-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (4S)-4-ethyl-1,3-oxazolidin-2-one?
(4S)-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 7832546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).