3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole

C16H30N4O — CID 106421485

IUPAC3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC(C)C1CN(CCc2noc(C)n2)C(C(C)C)CN1
InChIInChI=1S/C16H30N4O/c1-6-12(4)14-10-20(15(9-17-14)11(2)3)8-7-16-18-13(5)21-19-16/h11-12,14-15,17H,6-10H2,1-5H3
InChIKeyZHPZOIKECVFIHP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.27
Rot. Bonds6

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

3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106421485) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106421485
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC(C)C1CN(CCc2noc(C)n2)C(C(C)C)CN1
InChIInChI=1S/C16H30N4O/c1-6-12(4)14-10-20(15(9-17-14)11(2)3)8-7-16-18-13(5)21-19-16/h11-12,14-15,17H,6-10H2,1-5H3
InChIKeyZHPZOIKECVFIHP-UHFFFAOYSA-N
XLogP2.27
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
3-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421527
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421459

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (CID 106421485) is 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is CCC(C)C1CN(CCc2noc(C)n2)C(C(C)C)CN1.
What is the InChIKey of 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ZHPZOIKECVFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-12(4)14-10-20(15(9-17-14)11(2)3)8-7-16-18-13(5)21-19-16/h11-12,14-15,17H,6-10H2,1-5H3.
What are the key properties of 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 294.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).