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

C11H16N2O — CID 130355880

IUPAC2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole
SMILESCC12CCC(c3nnco3)(CC1)CC2
InChIInChI=1S/C11H16N2O/c1-10-2-5-11(6-3-10,7-4-10)9-13-12-8-14-9/h8H,2-7H2,1H3
InChIKeyLWCFXICVLYBQHI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.68
Rot. Bonds1

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

2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole (PubChem CID 130355880) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole
PubChem CID130355880
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole
SMILESCC12CCC(c3nnco3)(CC1)CC2
InChIInChI=1S/C11H16N2O/c1-10-2-5-11(6-3-10,7-4-10)9-13-12-8-14-9/h8H,2-7H2,1H3
InChIKeyLWCFXICVLYBQHI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole (CID 130355880) is 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole is CC12CCC(c3nnco3)(CC1)CC2.
What is the InChIKey of 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole?
The InChIKey is LWCFXICVLYBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10-2-5-11(6-3-10,7-4-10)9-13-12-8-14-9/h8H,2-7H2,1H3.
What are the key properties of 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole?
2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole has a molecular weight of 192.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).