3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C12H22N4O — CID 114185223

IUPAC3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCC(C)C1CN(CCc2ncon2)CCN1
InChIInChI=1S/C12H22N4O/c1-3-10(2)11-8-16(7-5-13-11)6-4-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeySHRQEIPQACRCOY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds5

About 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 114185223) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID114185223
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCC(C)C1CN(CCc2ncon2)CCN1
InChIInChI=1S/C12H22N4O/c1-3-10(2)11-8-16(7-5-13-11)6-4-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeySHRQEIPQACRCOY-UHFFFAOYSA-N
XLogP0.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106409016
3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
3-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925150
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine
CID 106402279
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
3-[2-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408941
3-[2-(3-cyclopropyl-3-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185224
2-[2-(3-butan-2-yl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64948802

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 114185223) is 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CCC(C)C1CN(CCc2ncon2)CCN1.
What is the InChIKey of 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is SHRQEIPQACRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10(2)11-8-16(7-5-13-11)6-4-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 114185223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).