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

C12H22N4O — CID 106408830

IUPAC5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCC1(C)CN(CCc2ncno2)C(C)CN1
InChIInChI=1S/C12H22N4O/c1-4-12(3)8-16(10(2)7-14-12)6-5-11-13-9-15-17-11/h9-10,14H,4-8H2,1-3H3
InChIKeyUCXWWJNQOKNKRT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds4

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

5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106408830) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106408830
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCC1(C)CN(CCc2ncno2)C(C)CN1
InChIInChI=1S/C12H22N4O/c1-4-12(3)8-16(10(2)7-14-12)6-5-11-13-9-15-17-11/h9-10,14H,4-8H2,1-3H3
InChIKeyUCXWWJNQOKNKRT-UHFFFAOYSA-N
XLogP1.07
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735
1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64934390
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64933741
4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238559
1-(2,2-dimethylbutyl)-5-ethyl-2,5-dimethylpiperazine
CID 103465293
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
5-ethyl-2,5-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64847117
1-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908046
5-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,2,4-oxadiazole
CID 106408742
5-ethyl-1-(3-methoxy-3-methylbutyl)-2,5-dimethylpiperazine
CID 103016503
5,5-diethyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016611

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 106408830) is 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CCC1(C)CN(CCc2ncno2)C(C)CN1.
What is the InChIKey of 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is UCXWWJNQOKNKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-12(3)8-16(10(2)7-14-12)6-5-11-13-9-15-17-11/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).