3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C14H24N6O — CID 79959615

IUPAC3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CN3CCN2CC3)no1)N1CCNCC1
InChIInChI=1S/C14H24N6O/c1-11(19-4-2-15-3-5-19)14-16-13(17-21-14)12-10-18-6-8-20(12)9-7-18/h11-12,15H,2-10H2,1H3
InChIKeyHMOFKWRDYXWOMB-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.29
Rot. Bonds3

About 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 79959615) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID79959615
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CN3CCN2CC3)no1)N1CCNCC1
InChIInChI=1S/C14H24N6O/c1-11(19-4-2-15-3-5-19)14-16-13(17-21-14)12-10-18-6-8-20(12)9-7-18/h11-12,15H,2-10H2,1H3
InChIKeyHMOFKWRDYXWOMB-UHFFFAOYSA-N
XLogP-0.29
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540143
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 79974799
3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 65331884
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81084258
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79961527
cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 79959997
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79974712
N-[[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79969276
(3R,5R)-3-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95281872
5-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 79959602
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79961533

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 79959615) is 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1nc(C2CN3CCN2CC3)no1)N1CCNCC1.
What is the InChIKey of 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is HMOFKWRDYXWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-11(19-4-2-15-3-5-19)14-16-13(17-21-14)12-10-18-6-8-20(12)9-7-18/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 292.39 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79959615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).