3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

C16H20N4O — CID 123731051

IUPAC3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1cc2c(c(C3=NC4(CN5CCC4CC5)ON3)c1)NCC2
InChIInChI=1S/C16H20N4O/c1-2-11-4-7-17-14(11)13(3-1)15-18-16(21-19-15)10-20-8-5-12(16)6-9-20/h1-3,12,17H,4-10H2,(H,18,19)
InChIKeyUPJWFPSHKVVGDJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.36
Rot. Bonds1

About 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 123731051) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID123731051
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1cc2c(c(C3=NC4(CN5CCC4CC5)ON3)c1)NCC2
InChIInChI=1S/C16H20N4O/c1-2-11-4-7-17-14(11)13(3-1)15-18-16(21-19-15)10-20-8-5-12(16)6-9-20/h1-3,12,17H,4-10H2,(H,18,19)
InChIKeyUPJWFPSHKVVGDJ-UHFFFAOYSA-N
XLogP1.36
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 123731051) is 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is c1cc2c(c(C3=NC4(CN5CCC4CC5)ON3)c1)NCC2.
What is the InChIKey of 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is UPJWFPSHKVVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-11-4-7-17-14(11)13(3-1)15-18-16(21-19-15)10-20-8-5-12(16)6-9-20/h1-3,12,17H,4-10H2,(H,18,19).
What are the key properties of 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 284.36 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 123731051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).