1,3-oxazolidin-3-ium chloride

C3H8ClNO — CID 70516418

IUPAC1,3-oxazolidin-3-ium chloride
SMILESC1COC[NH2+]1.[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-2-5-3-4-1;/h4H,1-3H2;1H
InChIKeyVYGXSMYEELSIAI-UHFFFAOYSA-N
MW109.56 g/mol
LogP-4.46
Rot. Bonds

About 1,3-oxazolidin-3-ium chloride

1,3-oxazolidin-3-ium chloride (PubChem CID 70516418) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is 1,3-oxazolidin-3-ium chloride.

Molecular Properties

Compound Name1,3-oxazolidin-3-ium chloride
PubChem CID70516418
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name1,3-oxazolidin-3-ium chloride
SMILESC1COC[NH2+]1.[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-2-5-3-4-1;/h4H,1-3H2;1H
InChIKeyVYGXSMYEELSIAI-UHFFFAOYSA-N
XLogP-4.46
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-3-ium chloride?
The IUPAC name of 1,3-oxazolidin-3-ium chloride (CID 70516418) is 1,3-oxazolidin-3-ium chloride.
What is the SMILES notation for 1,3-oxazolidin-3-ium chloride?
The canonical SMILES for 1,3-oxazolidin-3-ium chloride is C1COC[NH2+]1.[Cl-].
What is the InChIKey of 1,3-oxazolidin-3-ium chloride?
The InChIKey is VYGXSMYEELSIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-2-5-3-4-1;/h4H,1-3H2;1H.
What are the key properties of 1,3-oxazolidin-3-ium chloride?
1,3-oxazolidin-3-ium chloride has a molecular weight of 109.56 g/mol, XLogP of -4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-3-ium chloride is sourced from PubChem (CID 70516418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).