3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole

C11H17N3O — CID 58097298

IUPAC3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CC3CCC2NC3)n1
InChIInChI=1S/C11H17N3O/c1-7-13-10(15-14-7)11(2)5-8-3-4-9(11)12-6-8/h8-9,12H,3-6H2,1-2H3
InChIKeyYHJLNQPKKCGWEP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.41
Rot. Bonds1

About 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole

3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole (PubChem CID 58097298) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole
PubChem CID58097298
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CC3CCC2NC3)n1
InChIInChI=1S/C11H17N3O/c1-7-13-10(15-14-7)11(2)5-8-3-4-9(11)12-6-8/h8-9,12H,3-6H2,1-2H3
InChIKeyYHJLNQPKKCGWEP-UHFFFAOYSA-N
XLogP1.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole (CID 58097298) is 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole is Cc1noc(C2(C)CC3CCC2NC3)n1.
What is the InChIKey of 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole?
The InChIKey is YHJLNQPKKCGWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-13-10(15-14-7)11(2)5-8-3-4-9(11)12-6-8/h8-9,12H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole?
3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 58097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).