3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole

C10H18N4O — CID 118396397

IUPAC3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESCCCCc1noc(N2CCNCC2)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-9-12-10(15-13-9)14-7-5-11-6-8-14/h11H,2-8H2,1H3
InChIKeyZOJXPVHFMVBXLI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds4

About 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole

3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 118396397) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID118396397
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESCCCCc1noc(N2CCNCC2)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-9-12-10(15-13-9)14-7-5-11-6-8-14/h11H,2-8H2,1H3
InChIKeyZOJXPVHFMVBXLI-UHFFFAOYSA-N
XLogP0.82
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole (CID 118396397) is 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole is CCCCc1noc(N2CCNCC2)n1.
What is the InChIKey of 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is ZOJXPVHFMVBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-9-12-10(15-13-9)14-7-5-11-6-8-14/h11H,2-8H2,1H3.
What are the key properties of 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole?
3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 118396397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).