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

C18H18N4O2 — CID 11645473

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole
SMILESc1cncc(-c2ccc(-c3noc(C4CN5CCC4CC5)n3)o2)c1
InChIInChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)17-20-18(24-21-17)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2
InChIKeyHAFBPVOPBRQKOM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.20
Rot. Bonds3

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

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole (PubChem CID 11645473) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole
PubChem CID11645473
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole
SMILESc1cncc(-c2ccc(-c3noc(C4CN5CCC4CC5)n3)o2)c1
InChIInChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)17-20-18(24-21-17)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2
InChIKeyHAFBPVOPBRQKOM-UHFFFAOYSA-N
XLogP3.20
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole (CID 11645473) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole is c1cncc(-c2ccc(-c3noc(C4CN5CCC4CC5)n3)o2)c1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is HAFBPVOPBRQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)17-20-18(24-21-17)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-pyridin-3-ylfuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 11645473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).