5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C20H24N4O — CID 70131273

IUPAC5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CC4CCCCN4C3)n2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-23-13-17(16-7-2-3-8-18(16)23)20-21-19(25-22-20)11-14-10-15-6-4-5-9-24(15)12-14/h2-3,7-8,13-15H,4-6,9-12H2,1H3
InChIKeyDBSUWUOENFKCKZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds3

About 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 70131273) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID70131273
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CC3CC4CCCCN4C3)n2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-23-13-17(16-7-2-3-8-18(16)23)20-21-19(25-22-20)11-14-10-15-6-4-5-9-24(15)12-14/h2-3,7-8,13-15H,4-6,9-12H2,1H3
InChIKeyDBSUWUOENFKCKZ-UHFFFAOYSA-N
XLogP3.65
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 70131273) is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(CC3CC4CCCCN4C3)n2)c2ccccc21.
What is the InChIKey of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is DBSUWUOENFKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-13-17(16-7-2-3-8-18(16)23)20-21-19(25-22-20)11-14-10-15-6-4-5-9-24(15)12-14/h2-3,7-8,13-15H,4-6,9-12H2,1H3.
What are the key properties of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 336.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).