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

C19H22N4O — CID 14810816

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CN4CCC3CC4)n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-22-12-16(15-4-2-3-5-17(15)22)19-20-18(24-21-19)10-14-11-23-8-6-13(14)7-9-23/h2-5,12-14H,6-11H2,1H3
InChIKeyWBWSRKLJVPXBKX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds3

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

5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810816) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810816
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CN4CCC3CC4)n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-22-12-16(15-4-2-3-5-17(15)22)19-20-18(24-21-19)10-14-11-23-8-6-13(14)7-9-23/h2-5,12-14H,6-11H2,1H3
InChIKeyWBWSRKLJVPXBKX-UHFFFAOYSA-N
XLogP3.11
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810816) is 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(CC3CN4CCC3CC4)n2)c2ccccc21.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is WBWSRKLJVPXBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-12-16(15-4-2-3-5-17(15)22)19-20-18(24-21-19)10-14-11-23-8-6-13(14)7-9-23/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 322.41 g/mol, XLogP of 3.11, 3 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-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).