5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride

C11H13ClN4O — CID 72716128

IUPAC5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cccc(-c2noc(C3CNC3)n2)n1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-7-3-2-4-9(13-7)10-14-11(16-15-10)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H
InChIKeyGBCSMIPNYUWPNC-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.55
Rot. Bonds2

About 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride

5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 72716128) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID72716128
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cccc(-c2noc(C3CNC3)n2)n1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-7-3-2-4-9(13-7)10-14-11(16-15-10)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H
InChIKeyGBCSMIPNYUWPNC-UHFFFAOYSA-N
XLogP1.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride (CID 72716128) is 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride is Cc1cccc(-c2noc(C3CNC3)n2)n1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is GBCSMIPNYUWPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c1-7-3-2-4-9(13-7)10-14-11(16-15-10)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H.
What are the key properties of 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 72716128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).