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

C18H20N4O — CID 14810899

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(C3CN4CCC3CC4)no2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)18-19-17(20-23-18)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeyIOMFRYUJCFHTPR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.04
Rot. Bonds2

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

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810899) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810899
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(C3CN4CCC3CC4)no2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)18-19-17(20-23-18)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3
InChIKeyIOMFRYUJCFHTPR-UHFFFAOYSA-N
XLogP3.04
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810899) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2nc(C3CN4CCC3CC4)no2)c2ccccc21.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is IOMFRYUJCFHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)18-19-17(20-23-18)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole?
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).