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

C18H20N4O — CID 14810804

IUPAC5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3CC4CCN3CC4)n2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-11-14(13-4-2-3-5-15(13)21)17-19-18(23-20-17)16-10-12-6-8-22(16)9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyPHIZCFQTLFZISF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.39
Rot. Bonds2

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

5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810804) 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-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810804
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3CC4CCN3CC4)n2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-11-14(13-4-2-3-5-15(13)21)17-19-18(23-20-17)16-10-12-6-8-22(16)9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyPHIZCFQTLFZISF-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161707308
(2S)-2-[3-(1-decylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161868734
(2S)-2-[3-(1-nonylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162651780
(2S)-2-[3-(1-decylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162664253
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810800
3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-yl]-1-aza-bicyclo[2.2.2]octane
CID 14810802
5-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810806

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810804) is 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3CC4CCN3CC4)n2)c2ccccc21.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is PHIZCFQTLFZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-11-14(13-4-2-3-5-15(13)21)17-19-18(23-20-17)16-10-12-6-8-22(16)9-7-12/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 3.39, 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-2-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).