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

C16H19N3O2 — CID 14810888

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C2CN3CCC2CC3)n1
InChIInChI=1S/C16H19N3O2/c1-20-14-5-3-2-4-12(14)15-17-16(21-18-15)13-10-19-8-6-11(13)7-9-19/h2-5,11,13H,6-10H2,1H3
InChIKeyWMGKNFNQUYJCPM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds3

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

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 14810888) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID14810888
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C2CN3CCC2CC3)n1
InChIInChI=1S/C16H19N3O2/c1-20-14-5-3-2-4-12(14)15-17-16(21-18-15)13-10-19-8-6-11(13)7-9-19/h2-5,11,13H,6-10H2,1H3
InChIKeyWMGKNFNQUYJCPM-UHFFFAOYSA-N
XLogP2.55
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 14810888) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WMGKNFNQUYJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-14-5-3-2-4-12(14)15-17-16(21-18-15)13-10-19-8-6-11(13)7-9-19/h2-5,11,13H,6-10H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).