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

C11H20N4O — CID 106421703

IUPAC5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCC1CNCCN1CCc1nc(C)no1
InChIInChI=1S/C11H20N4O/c1-3-10-8-12-5-7-15(10)6-4-11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3
InChIKeyODJLKCHGSUOMDF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds4

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

5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 106421703) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID106421703
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCC1CNCCN1CCc1nc(C)no1
InChIInChI=1S/C11H20N4O/c1-3-10-8-12-5-7-15(10)6-4-11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3
InChIKeyODJLKCHGSUOMDF-UHFFFAOYSA-N
XLogP0.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421628
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64946367
4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
CID 106421274
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
3-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole;hydrochloride
CID 119916375
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112589887
2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64933085
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111568274
5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
CID 82670184
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 106422268
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole (CID 106421703) is 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole is CCC1CNCCN1CCc1nc(C)no1.
What is the InChIKey of 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ODJLKCHGSUOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-10-8-12-5-7-15(10)6-4-11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 224.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).