3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole

C12H22N4O — CID 63343418

IUPAC3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C(C)(C)N2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-9(2)10-14-11(15-17-10)12(3,4)16-7-5-13-6-8-16/h9,13H,5-8H2,1-4H3
InChIKeyDHSNCBVPHMLJBW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds3

About 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole

3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 63343418) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID63343418
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C(C)(C)N2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-9(2)10-14-11(15-17-10)12(3,4)16-7-5-13-6-8-16/h9,13H,5-8H2,1-4H3
InChIKeyDHSNCBVPHMLJBW-UHFFFAOYSA-N
XLogP1.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole (CID 63343418) is 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C(C)(C)N2CCNCC2)no1.
What is the InChIKey of 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DHSNCBVPHMLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)10-14-11(15-17-10)12(3,4)16-7-5-13-6-8-16/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63343418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).