3-methyl-1,3-oxazolidin-3-ium

C4H10NO+ — CID 140769751

IUPAC3-methyl-1,3-oxazolidin-3-ium
SMILESC[NH+]1CCOC1
InChIInChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3/p+1
InChIKeyFNKSTXGVEUSZJJ-UHFFFAOYSA-O
MW88.13 g/mol
LogP-1.51
Rot. Bonds

About 3-methyl-1,3-oxazolidin-3-ium

3-methyl-1,3-oxazolidin-3-ium (PubChem CID 140769751) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-3-ium.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-3-ium
PubChem CID140769751
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name3-methyl-1,3-oxazolidin-3-ium
SMILESC[NH+]1CCOC1
InChIInChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3/p+1
InChIKeyFNKSTXGVEUSZJJ-UHFFFAOYSA-O
XLogP-1.51
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-3-ium?
The IUPAC name of 3-methyl-1,3-oxazolidin-3-ium (CID 140769751) is 3-methyl-1,3-oxazolidin-3-ium.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-3-ium?
The canonical SMILES for 3-methyl-1,3-oxazolidin-3-ium is C[NH+]1CCOC1.
What is the InChIKey of 3-methyl-1,3-oxazolidin-3-ium?
The InChIKey is FNKSTXGVEUSZJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3/p+1.
What are the key properties of 3-methyl-1,3-oxazolidin-3-ium?
3-methyl-1,3-oxazolidin-3-ium has a molecular weight of 88.13 g/mol, XLogP of -1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-3-ium is sourced from PubChem (CID 140769751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).