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

C14H20N4OS — CID 63342810

IUPAC3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2ccsc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N4OS/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(19-17-13)11-4-9-20-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3
InChIKeyCZFCJKOSDOQEIS-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.54
Rot. Bonds5

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

3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 63342810) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID63342810
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2ccsc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N4OS/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(19-17-13)11-4-9-20-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3
InChIKeyCZFCJKOSDOQEIS-UHFFFAOYSA-N
XLogP2.54
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.54
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
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
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-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole (CID 63342810) is 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole is CCCC(c1noc(-c2ccsc2)n1)N1CCNCC1.
What is the InChIKey of 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is CZFCJKOSDOQEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-3-12(18-7-5-15-6-8-18)13-16-14(19-17-13)11-4-9-20-10-11/h4,9-10,12,15H,2-3,5-8H2,1H3.
What are the key properties of 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole?
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 292.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).