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

C11H17N3O — CID 163860940

IUPAC3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole
SMILESCc1nonc1C1CC2CCC1N(C)C2
InChIInChI=1S/C11H17N3O/c1-7-11(13-15-12-7)9-5-8-3-4-10(9)14(2)6-8/h8-10H,3-6H2,1-2H3
InChIKeyPCLMGRROBFOUSO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds1

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

3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole (PubChem CID 163860940) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole
PubChem CID163860940
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole
SMILESCc1nonc1C1CC2CCC1N(C)C2
InChIInChI=1S/C11H17N3O/c1-7-11(13-15-12-7)9-5-8-3-4-10(9)14(2)6-8/h8-10H,3-6H2,1-2H3
InChIKeyPCLMGRROBFOUSO-UHFFFAOYSA-N
XLogP1.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole (CID 163860940) is 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole is Cc1nonc1C1CC2CCC1N(C)C2.
What is the InChIKey of 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole?
The InChIKey is PCLMGRROBFOUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-11(13-15-12-7)9-5-8-3-4-10(9)14(2)6-8/h8-10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole?
3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 163860940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).