5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

C14H26N4O — CID 63342938

IUPAC5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(C(C)(C)C)n1)N1CCNCC1
InChIInChI=1S/C14H26N4O/c1-5-6-11(18-9-7-15-8-10-18)12-16-13(19-17-12)14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeySXUHICIZTDJHEF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.11
Rot. Bonds4

About 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (PubChem CID 63342938) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
PubChem CID63342938
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(C(C)(C)C)n1)N1CCNCC1
InChIInChI=1S/C14H26N4O/c1-5-6-11(18-9-7-15-8-10-18)12-16-13(19-17-12)14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeySXUHICIZTDJHEF-UHFFFAOYSA-N
XLogP2.11
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 63342689
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (CID 63342938) is 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is CCCC(c1noc(C(C)(C)C)n1)N1CCNCC1.
What is the InChIKey of 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The InChIKey is SXUHICIZTDJHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-11(18-9-7-15-8-10-18)12-16-13(19-17-12)14(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole has a molecular weight of 266.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).