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

C11H20N4O2 — CID 54595854

IUPAC3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-3-16-9(2)11-13-10(17-14-11)8-15-6-4-12-5-7-15/h9,12H,3-8H2,1-2H3
InChIKeyXCXWZWMWUWEAAG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.57
Rot. Bonds5

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

3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 54595854) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID54595854
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-3-16-9(2)11-13-10(17-14-11)8-15-6-4-12-5-7-15/h9,12H,3-8H2,1-2H3
InChIKeyXCXWZWMWUWEAAG-UHFFFAOYSA-N
XLogP0.57
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 54595854) is 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCOC(C)c1noc(CN2CCNCC2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XCXWZWMWUWEAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-16-9(2)11-13-10(17-14-11)8-15-6-4-12-5-7-15/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 54595854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).