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

C16H18N4O — CID 118051134

IUPAC3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1ccc2[nH]c(C3=NC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C16H18N4O/c1-2-4-13-11(3-1)9-14(17-13)15-18-16(21-19-15)10-20-7-5-12(16)6-8-20/h1-4,9,12,17H,5-8,10H2,(H,18,19)
InChIKeyJQIFXZWERJBJBB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds1

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

3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051134) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID118051134
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1ccc2[nH]c(C3=NC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C16H18N4O/c1-2-4-13-11(3-1)9-14(17-13)15-18-16(21-19-15)10-20-7-5-12(16)6-8-20/h1-4,9,12,17H,5-8,10H2,(H,18,19)
InChIKeyJQIFXZWERJBJBB-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051134) is 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is c1ccc2[nH]c(C3=NC4(CN5CCC4CC5)ON3)cc2c1.
What is the InChIKey of 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is JQIFXZWERJBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-13-11(3-1)9-14(17-13)15-18-16(21-19-15)10-20-7-5-12(16)6-8-20/h1-4,9,12,17H,5-8,10H2,(H,18,19).
What are the key properties of 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 282.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(1H-indol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).