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

C11H20N4O — CID 106408622

IUPAC3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1CNC(C)(C)CN1Cc1ncon1
InChIInChI=1S/C11H20N4O/c1-4-9-5-13-11(2,3)7-15(9)6-10-12-8-16-14-10/h8-9,13H,4-7H2,1-3H3
InChIKeyMTEJMVVCRAWYIZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.03
Rot. Bonds3

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

3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408622) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408622
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1CNC(C)(C)CN1Cc1ncon1
InChIInChI=1S/C11H20N4O/c1-4-9-5-13-11(2,3)7-15(9)6-10-12-8-16-14-10/h8-9,13H,4-7H2,1-3H3
InChIKeyMTEJMVVCRAWYIZ-UHFFFAOYSA-N
XLogP1.03
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408622) is 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCC1CNC(C)(C)CN1Cc1ncon1.
What is the InChIKey of 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MTEJMVVCRAWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-5-13-11(2,3)7-15(9)6-10-12-8-16-14-10/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 224.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).