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

C12H22N4O — CID 63342267

IUPAC5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-3-10(4-2)12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyMQUIUGZQOGHKLT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds5

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

5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342267) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342267
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-3-10(4-2)12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyMQUIUGZQOGHKLT-UHFFFAOYSA-N
XLogP1.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 104632652
5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342702
5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55200842
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
3-[(3-piperazin-1-ylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 66197727
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43348682
3-(piperazin-1-ylmethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 104632872
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152492
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342267) is 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCC(CC)c1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is MQUIUGZQOGHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10(4-2)12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).