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

C18H20N4O — CID 14810814

IUPAC5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C34CCN(CC3)CC4)n2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-12-14(13-4-2-3-5-15(13)21)16-19-17(23-20-16)18-6-9-22(10-7-18)11-8-18/h2-5,12H,6-11H2,1H3
InChIKeyLZJZTWXZBSHJGM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.97
Rot. Bonds2

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

5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810814) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810814
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C34CCN(CC3)CC4)n2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-12-14(13-4-2-3-5-15(13)21)16-19-17(23-20-16)18-6-9-22(10-7-18)11-8-18/h2-5,12H,6-11H2,1H3
InChIKeyLZJZTWXZBSHJGM-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810814) is 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C34CCN(CC3)CC4)n2)c2ccccc21.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is LZJZTWXZBSHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-12-14(13-4-2-3-5-15(13)21)16-19-17(23-20-16)18-6-9-22(10-7-18)11-8-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 2.97, 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-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).