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

C12H22N4O — CID 64946367

IUPAC5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCC1CNC(C)(C)CN1Cc1nc(C)no1
InChIInChI=1S/C12H22N4O/c1-5-10-6-13-12(3,4)8-16(10)7-11-14-9(2)15-17-11/h10,13H,5-8H2,1-4H3
InChIKeyBRYFJBXAKSDSIL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.34
Rot. Bonds3

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

5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 64946367) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID64946367
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCC1CNC(C)(C)CN1Cc1nc(C)no1
InChIInChI=1S/C12H22N4O/c1-5-10-6-13-12(3,4)8-16(10)7-11-14-9(2)15-17-11/h10,13H,5-8H2,1-4H3
InChIKeyBRYFJBXAKSDSIL-UHFFFAOYSA-N
XLogP1.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64947439
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
5-[2-(2-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421703
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
5-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421628
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64837936
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (CID 64946367) is 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole is CCC1CNC(C)(C)CN1Cc1nc(C)no1.
What is the InChIKey of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BRYFJBXAKSDSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-6-13-12(3,4)8-16(10)7-11-14-9(2)15-17-11/h10,13H,5-8H2,1-4H3.
What are the key properties of 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 64946367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).