oxadiazole;hydrochloride

C2H3ClN2O — CID 21476690

IUPACoxadiazole;hydrochloride
SMILESCl.c1conn1
InChIInChI=1S/C2H2N2O.ClH/c1-2-5-4-3-1;/h1-2H;1H
InChIKeyBGCWIJAYDXRUSG-UHFFFAOYSA-N
MW106.51 g/mol
LogP0.49
Rot. Bonds

About oxadiazole;hydrochloride

oxadiazole;hydrochloride (PubChem CID 21476690) has the molecular formula C2H3ClN2O and a molecular weight of 106.51 g/mol. Its IUPAC name is oxadiazole;hydrochloride.

Molecular Properties

Compound Nameoxadiazole;hydrochloride
PubChem CID21476690
Molecular FormulaC2H3ClN2O
Molecular Weight106.51 g/mol
Exact Mass105.99
IUPAC Nameoxadiazole;hydrochloride
SMILESCl.c1conn1
InChIInChI=1S/C2H2N2O.ClH/c1-2-5-4-3-1;/h1-2H;1H
InChIKeyBGCWIJAYDXRUSG-UHFFFAOYSA-N
XLogP0.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.51
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;hydrochloride?
The IUPAC name of oxadiazole;hydrochloride (CID 21476690) is oxadiazole;hydrochloride.
What is the SMILES notation for oxadiazole;hydrochloride?
The canonical SMILES for oxadiazole;hydrochloride is Cl.c1conn1.
What is the InChIKey of oxadiazole;hydrochloride?
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 oxadiazole;hydrochloride?
oxadiazole;hydrochloride has a molecular weight of 106.51 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;hydrochloride is sourced from PubChem (CID 21476690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).