3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C10H18N4O — CID 54592609

IUPAC3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCNCC2)n1
InChIInChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
InChIKeyYKOUFZWBCNJRRJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.60
Rot. Bonds3

About 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 54592609) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID54592609
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCNCC2)n1
InChIInChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
InChIKeyYKOUFZWBCNJRRJ-UHFFFAOYSA-N
XLogP0.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 54592609) is 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CCc1noc(C(C)N2CCNCC2)n1.
What is the InChIKey of 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is YKOUFZWBCNJRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 54592609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).