3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

C17H20N4O — CID 118051246

IUPAC3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESCn1ccc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc21
InChIInChI=1S/C17H20N4O/c1-20-7-4-12-2-3-13(10-15(12)20)16-18-17(22-19-16)11-21-8-5-14(17)6-9-21/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyBWCHDUNSUKPEMU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.88
Rot. Bonds1

About 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051246) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID118051246
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESCn1ccc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc21
InChIInChI=1S/C17H20N4O/c1-20-7-4-12-2-3-13(10-15(12)20)16-18-17(22-19-16)11-21-8-5-14(17)6-9-21/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyBWCHDUNSUKPEMU-UHFFFAOYSA-N
XLogP1.88
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051246) is 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is Cn1ccc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc21.
What is the InChIKey of 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is BWCHDUNSUKPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-7-4-12-2-3-13(10-15(12)20)16-18-17(22-19-16)11-21-8-5-14(17)6-9-21/h2-4,7,10,14H,5-6,8-9,11H2,1H3,(H,18,19).
What are the key properties of 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 296.37 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).