3-oxido-1,3-oxazolidin-3-ium-5-one

C3H5NO3 — CID 88847729

IUPAC3-oxido-1,3-oxazolidin-3-ium-5-one
SMILESO=C1C[NH+]([O-])CO1
InChIInChI=1S/C3H5NO3/c5-3-1-4(6)2-7-3/h4H,1-2H2
InChIKeyPNYRIWKOPHNLDC-UHFFFAOYSA-N
MW103.08 g/mol
LogP-2.12
Rot. Bonds

About 3-oxido-1,3-oxazolidin-3-ium-5-one

3-oxido-1,3-oxazolidin-3-ium-5-one (PubChem CID 88847729) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is 3-oxido-1,3-oxazolidin-3-ium-5-one.

Molecular Properties

Compound Name3-oxido-1,3-oxazolidin-3-ium-5-one
PubChem CID88847729
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name3-oxido-1,3-oxazolidin-3-ium-5-one
SMILESO=C1C[NH+]([O-])CO1
InChIInChI=1S/C3H5NO3/c5-3-1-4(6)2-7-3/h4H,1-2H2
InChIKeyPNYRIWKOPHNLDC-UHFFFAOYSA-N
XLogP-2.12
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-1,3-oxazolidin-3-ium-5-one?
The IUPAC name of 3-oxido-1,3-oxazolidin-3-ium-5-one (CID 88847729) is 3-oxido-1,3-oxazolidin-3-ium-5-one.
What is the SMILES notation for 3-oxido-1,3-oxazolidin-3-ium-5-one?
The canonical SMILES for 3-oxido-1,3-oxazolidin-3-ium-5-one is O=C1C[NH+]([O-])CO1.
What is the InChIKey of 3-oxido-1,3-oxazolidin-3-ium-5-one?
The InChIKey is PNYRIWKOPHNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c5-3-1-4(6)2-7-3/h4H,1-2H2.
What are the key properties of 3-oxido-1,3-oxazolidin-3-ium-5-one?
3-oxido-1,3-oxazolidin-3-ium-5-one has a molecular weight of 103.08 g/mol, XLogP of -2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-1,3-oxazolidin-3-ium-5-one is sourced from PubChem (CID 88847729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).