5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole

C11H16N2O — CID 153246826

IUPAC5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C23CCC(CC2)CC3)n1
InChIInChI=1S/C11H16N2O/c1-8-12-10(14-13-8)11-5-2-9(3-6-11)4-7-11/h9H,2-7H2,1H3
InChIKeyWSNQQNVQUXEUPX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds1

About 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole

5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 153246826) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
PubChem CID153246826
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C23CCC(CC2)CC3)n1
InChIInChI=1S/C11H16N2O/c1-8-12-10(14-13-8)11-5-2-9(3-6-11)4-7-11/h9H,2-7H2,1H3
InChIKeyWSNQQNVQUXEUPX-UHFFFAOYSA-N
XLogP2.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole (CID 153246826) is 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C23CCC(CC2)CC3)n1.
What is the InChIKey of 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is WSNQQNVQUXEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-12-10(14-13-8)11-5-2-9(3-6-11)4-7-11/h9H,2-7H2,1H3.
What are the key properties of 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole?
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 192.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 153246826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).