oxadiazol-3-ium chloride

C2H3ClN2O — CID 70558369

IUPACoxadiazol-3-ium chloride
SMILES[Cl-].c1con[nH+]1
InChIInChI=1S/C2H2N2O.ClH/c1-2-5-4-3-1;/h1-2H;1H
InChIKeyBGCWIJAYDXRUSG-UHFFFAOYSA-N
MW106.51 g/mol
LogP-3.51
Rot. Bonds

About oxadiazol-3-ium chloride

oxadiazol-3-ium chloride (PubChem CID 70558369) has the molecular formula C2H3ClN2O and a molecular weight of 106.51 g/mol. Its IUPAC name is oxadiazol-3-ium chloride.

Molecular Properties

Compound Nameoxadiazol-3-ium chloride
PubChem CID70558369
Molecular FormulaC2H3ClN2O
Molecular Weight106.51 g/mol
Exact Mass105.99
IUPAC Nameoxadiazol-3-ium chloride
SMILES[Cl-].c1con[nH+]1
InChIInChI=1S/C2H2N2O.ClH/c1-2-5-4-3-1;/h1-2H;1H
InChIKeyBGCWIJAYDXRUSG-UHFFFAOYSA-N
XLogP-3.51
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.51
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxadiazol-3-ium chloride?
The IUPAC name of oxadiazol-3-ium chloride (CID 70558369) is oxadiazol-3-ium chloride.
What is the SMILES notation for oxadiazol-3-ium chloride?
The canonical SMILES for oxadiazol-3-ium chloride is [Cl-].c1con[nH+]1.
What is the InChIKey of oxadiazol-3-ium chloride?
The InChIKey is BGCWIJAYDXRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.ClH/c1-2-5-4-3-1;/h1-2H;1H.
What are the key properties of oxadiazol-3-ium chloride?
oxadiazol-3-ium chloride has a molecular weight of 106.51 g/mol, XLogP of -3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazol-3-ium chloride is sourced from PubChem (CID 70558369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).