5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

C14H20N4O2 — CID 63342855

IUPAC5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2ccoc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N4O2/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(20-17-13)11-4-9-19-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3
InChIKeyKMCUUFLFMSDEFX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.08
Rot. Bonds5

About 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole

5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (PubChem CID 63342855) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
PubChem CID63342855
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2ccoc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N4O2/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(20-17-13)11-4-9-19-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3
InChIKeyKMCUUFLFMSDEFX-UHFFFAOYSA-N
XLogP2.08
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole (CID 63342855) is 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is CCCC(c1noc(-c2ccoc2)n1)N1CCNCC1.
What is the InChIKey of 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
The InChIKey is KMCUUFLFMSDEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(20-17-13)11-4-9-19-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3.
What are the key properties of 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole?
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).