5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C12H22N4O — CID 55200842

IUPAC5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(C)(C)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-4-12(2,3)11-14-10(15-17-11)9-16-7-5-13-6-8-16/h13H,4-9H2,1-3H3
InChIKeyOOXPUUMPEOYBIX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds4

About 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 55200842) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID55200842
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(C)(C)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-4-12(2,3)11-14-10(15-17-11)9-16-7-5-13-6-8-16/h13H,4-9H2,1-3H3
InChIKeyOOXPUUMPEOYBIX-UHFFFAOYSA-N
XLogP1.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 55200842) is 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCC(C)(C)c1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OOXPUUMPEOYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-12(2,3)11-14-10(15-17-11)9-16-7-5-13-6-8-16/h13H,4-9H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).