5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole

C15H17N3O — CID 14810876

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CN4CCC3CC4)n2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)14-16-15(19-17-14)13-10-18-8-6-11(13)7-9-18/h1-5,11,13H,6-10H2
InChIKeyFQLSHWHPVFKMSR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.55
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 14810876) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID14810876
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CN4CCC3CC4)n2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)14-16-15(19-17-14)13-10-18-8-6-11(13)7-9-18/h1-5,11,13H,6-10H2
InChIKeyFQLSHWHPVFKMSR-UHFFFAOYSA-N
XLogP2.55
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole (CID 14810876) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(C3CN4CCC3CC4)n2)cc1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FQLSHWHPVFKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-4-12(5-3-1)14-16-15(19-17-14)13-10-18-8-6-11(13)7-9-18/h1-5,11,13H,6-10H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 255.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 14810876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).