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

C19H19N3O — CID 14810880

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(C4CN5CCC4CC5)n3)cccc2c1
InChIInChI=1S/C19H19N3O/c1-2-6-15-13(4-1)5-3-7-16(15)18-20-19(23-21-18)17-12-22-10-8-14(17)9-11-22/h1-7,14,17H,8-12H2
InChIKeyFLGKAVXSPKKJBS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds2

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

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole (PubChem CID 14810880) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
PubChem CID14810880
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(C4CN5CCC4CC5)n3)cccc2c1
InChIInChI=1S/C19H19N3O/c1-2-6-15-13(4-1)5-3-7-16(15)18-20-19(23-21-18)17-12-22-10-8-14(17)9-11-22/h1-7,14,17H,8-12H2
InChIKeyFLGKAVXSPKKJBS-UHFFFAOYSA-N
XLogP3.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.70
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-naphthalen-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole (CID 14810880) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole is c1ccc2c(-c3noc(C4CN5CCC4CC5)n3)cccc2c1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole?
The InChIKey is FLGKAVXSPKKJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-6-15-13(4-1)5-3-7-16(15)18-20-19(23-21-18)17-12-22-10-8-14(17)9-11-22/h1-7,14,17H,8-12H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 3.70, 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-naphthalen-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14810880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).