5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

C14H16N4O — CID 14810878

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(C3CN4CCC3CC4)n2)c1
InChIInChI=1S/C14H16N4O/c1-2-11(8-15-5-1)13-16-14(19-17-13)12-9-18-6-3-10(12)4-7-18/h1-2,5,8,10,12H,3-4,6-7,9H2
InChIKeyVDNHSHWEWOXVPA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 14810878) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID14810878
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(C3CN4CCC3CC4)n2)c1
InChIInChI=1S/C14H16N4O/c1-2-11(8-15-5-1)13-16-14(19-17-13)12-9-18-6-3-10(12)4-7-18/h1-2,5,8,10,12H,3-4,6-7,9H2
InChIKeyVDNHSHWEWOXVPA-UHFFFAOYSA-N
XLogP1.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine
CID 877119
3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-yl]-1-aza-bicyclo[2.2.2]octane
CID 14810802
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-(1-prop-2-enylindol-3-yl)-1,2,4-oxadiazole
CID 14810865
3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761146
4-(3-Pyridin-4-yl-[1,2,4]oxadiazol-5-yl)-piperidine-1-carboxylic acid diisopropylamide
CID 654334
5-(Cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
5-(4-(Piperidin-1-yl)butyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
CID 52946273
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-quinolin-3-yl-1,2,4-oxadiazole
CID 14810884
4-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761143
3-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-ylmethyl}-pyridine
CID 654604
5-(Cyclohexylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 806707
(S)-cyclobutyl(3-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 54585502

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 14810878) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(C3CN4CCC3CC4)n2)c1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is VDNHSHWEWOXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-11(8-15-5-1)13-16-14(19-17-13)12-9-18-6-3-10(12)4-7-18/h1-2,5,8,10,12H,3-4,6-7,9H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14810878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).