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

C12H22N4O — CID 63342313

IUPAC5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)CCc1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-10(2)3-4-12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyKSRDRCMDULAPII-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds5

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

5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342313) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342313
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)CCc1nc(CN2CCNCC2)no1
InChIInChI=1S/C12H22N4O/c1-10(2)3-4-12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyKSRDRCMDULAPII-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
3-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62691902
3-(piperazin-1-ylmethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211775
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342267
5-(difluoromethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 104632652
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55200842
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 62310459
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
3-[(3-piperazin-1-ylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 66197727

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342313) is 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CC(C)CCc1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is KSRDRCMDULAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)3-4-12-14-11(15-17-12)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).