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

C6H10ClN3O — CID 46737146

IUPAC5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CNC2)n1.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5;/h5,7H,2-3H2,1H3;1H
InChIKeyXSXSNQPOWQLACE-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.49
Rot. Bonds1

About 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 46737146) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID46737146
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CNC2)n1.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5;/h5,7H,2-3H2,1H3;1H
InChIKeyXSXSNQPOWQLACE-UHFFFAOYSA-N
XLogP0.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 46737146) is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2CNC2)n1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XSXSNQPOWQLACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5;/h5,7H,2-3H2,1H3;1H.
What are the key properties of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 46737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).