1,3-oxazolidin-5-one

C3H5NO2 — CID 20510163

IUPAC1,3-oxazolidin-5-one
SMILESO=C1CNCO1
InChIInChI=1S/C3H5NO2/c5-3-1-4-2-6-3/h4H,1-2H2
InChIKeyGCSBYWTVHSKTNC-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.91
Rot. Bonds

About 1,3-oxazolidin-5-one

1,3-oxazolidin-5-one (PubChem CID 20510163) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 1,3-oxazolidin-5-one.

Molecular Properties

Compound Name1,3-oxazolidin-5-one
PubChem CID20510163
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name1,3-oxazolidin-5-one
SMILESO=C1CNCO1
InChIInChI=1S/C3H5NO2/c5-3-1-4-2-6-3/h4H,1-2H2
InChIKeyGCSBYWTVHSKTNC-UHFFFAOYSA-N
XLogP-0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-5-one?
The IUPAC name of 1,3-oxazolidin-5-one (CID 20510163) is 1,3-oxazolidin-5-one.
What is the SMILES notation for 1,3-oxazolidin-5-one?
The canonical SMILES for 1,3-oxazolidin-5-one is O=C1CNCO1.
What is the InChIKey of 1,3-oxazolidin-5-one?
The InChIKey is GCSBYWTVHSKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2/c5-3-1-4-2-6-3/h4H,1-2H2.
What are the key properties of 1,3-oxazolidin-5-one?
1,3-oxazolidin-5-one has a molecular weight of 87.08 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-5-one is sourced from PubChem (CID 20510163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).