3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride

C5H8ClN3O — CID 136574826

IUPAC3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCN2)no1
InChIInChI=1S/C5H7N3O.ClH/c1-2-6-4(1)5-7-3-9-8-5;/h3-4,6H,1-2H2;1H
InChIKeyXKQUNKPBKOFTQG-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.53
Rot. Bonds1

About 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride

3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 136574826) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID136574826
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCN2)no1
InChIInChI=1S/C5H7N3O.ClH/c1-2-6-4(1)5-7-3-9-8-5;/h3-4,6H,1-2H2;1H
InChIKeyXKQUNKPBKOFTQG-UHFFFAOYSA-N
XLogP0.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 136574826) is 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2CCN2)no1.
What is the InChIKey of 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XKQUNKPBKOFTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c1-2-6-4(1)5-7-3-9-8-5;/h3-4,6H,1-2H2;1H.
What are the key properties of 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride?
3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 136574826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).