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

C16H18N4O — CID 118051128

IUPAC3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1cc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc2[nH]1
InChIInChI=1S/C16H18N4O/c1-2-12(9-14-11(1)3-6-17-14)15-18-16(21-19-15)10-20-7-4-13(16)5-8-20/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,19)
InChIKeyXORZGUBAZBIQLS-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds1

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

3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051128) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID118051128
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1cc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc2[nH]1
InChIInChI=1S/C16H18N4O/c1-2-12(9-14-11(1)3-6-17-14)15-18-16(21-19-15)10-20-7-4-13(16)5-8-20/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,19)
InChIKeyXORZGUBAZBIQLS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051128) is 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is c1cc2ccc(C3=NC4(CN5CCC4CC5)ON3)cc2[nH]1.
What is the InChIKey of 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is XORZGUBAZBIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-12(9-14-11(1)3-6-17-14)15-18-16(21-19-15)10-20-7-4-13(16)5-8-20/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,19).
What are the key properties of 3'-(1H-indol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
3'-(1H-indol-6-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-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).