1-(1,3-oxazolidin-3-yl)ethanone

C5H9NO2 — CID 10654201

IUPAC1-(1,3-oxazolidin-3-yl)ethanone
SMILESCC(=O)N1CCOC1
InChIInChI=1S/C5H9NO2/c1-5(7)6-2-3-8-4-6/h2-4H2,1H3
InChIKeyBLQLHNKKPBHCIF-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds

About 1-(1,3-oxazolidin-3-yl)ethanone

1-(1,3-oxazolidin-3-yl)ethanone (PubChem CID 10654201) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-(1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-oxazolidin-3-yl)ethanone
PubChem CID10654201
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-(1,3-oxazolidin-3-yl)ethanone
SMILESCC(=O)N1CCOC1
InChIInChI=1S/C5H9NO2/c1-5(7)6-2-3-8-4-6/h2-4H2,1H3
InChIKeyBLQLHNKKPBHCIF-UHFFFAOYSA-N
XLogP-0.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 1-(1,3-oxazolidin-3-yl)ethanone (CID 10654201) is 1-(1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 1-(1,3-oxazolidin-3-yl)ethanone is CC(=O)N1CCOC1.
What is the InChIKey of 1-(1,3-oxazolidin-3-yl)ethanone?
The InChIKey is BLQLHNKKPBHCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(7)6-2-3-8-4-6/h2-4H2,1H3.
What are the key properties of 1-(1,3-oxazolidin-3-yl)ethanone?
1-(1,3-oxazolidin-3-yl)ethanone has a molecular weight of 115.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 10654201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).