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

C12H22N4O — CID 47022418

IUPAC3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(CC)CC2)n1
InChIInChI=1S/C12H22N4O/c1-4-11-13-12(17-14-11)10(3)16-8-6-15(5-2)7-9-16/h10H,4-9H2,1-3H3
InChIKeyDYMQXFGMVRWXOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds4

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

3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 47022418) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID47022418
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(CC)CC2)n1
InChIInChI=1S/C12H22N4O/c1-4-11-13-12(17-14-11)10(3)16-8-6-15(5-2)7-9-16/h10H,4-9H2,1-3H3
InChIKeyDYMQXFGMVRWXOL-UHFFFAOYSA-N
XLogP1.33
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
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-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 47022418) is 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(CC)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is DYMQXFGMVRWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-11-13-12(17-14-11)10(3)16-8-6-15(5-2)7-9-16/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.33, 4 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-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47022418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).