3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C11H20N4O — CID 42946511

IUPAC3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N4O/c1-4-10-12-11(16-13-10)9(2)15-7-5-14(3)6-8-15/h9H,4-8H2,1-3H3
InChIKeyUOMALGTWVLLEEX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.94
Rot. Bonds3

About 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 42946511) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID42946511
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N4O/c1-4-10-12-11(16-13-10)9(2)15-7-5-14(3)6-8-15/h9H,4-8H2,1-3H3
InChIKeyUOMALGTWVLLEEX-UHFFFAOYSA-N
XLogP0.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 42946511) is 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(C)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is UOMALGTWVLLEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10-12-11(16-13-10)9(2)15-7-5-14(3)6-8-15/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 224.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42946511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).