3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole

C15H28N4O — CID 63834040

IUPAC3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CC(C)C(C)(C)C)n1)N1CCNCC1
InChIInChI=1S/C15H28N4O/c1-11(15(3,4)5)10-13-17-14(18-20-13)12(2)19-8-6-16-7-9-19/h11-12,16H,6-10H2,1-5H3
InChIKeyOORJDNARWCJTBP-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.26
Rot. Bonds4

About 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole

3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole (PubChem CID 63834040) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
PubChem CID63834040
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CC(C)C(C)(C)C)n1)N1CCNCC1
InChIInChI=1S/C15H28N4O/c1-11(15(3,4)5)10-13-17-14(18-20-13)12(2)19-8-6-16-7-9-19/h11-12,16H,6-10H2,1-5H3
InChIKeyOORJDNARWCJTBP-UHFFFAOYSA-N
XLogP2.26
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343102
5-[(2-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343354
5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343191
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443194
5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 55202377
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343323
2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435450
5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63796485

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole (CID 63834040) is 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole is CC(c1noc(CC(C)C(C)(C)C)n1)N1CCNCC1.
What is the InChIKey of 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole?
The InChIKey is OORJDNARWCJTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(15(3,4)5)10-13-17-14(18-20-13)12(2)19-8-6-16-7-9-19/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole?
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole has a molecular weight of 280.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63834040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).