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

C14H26N4O — CID 106421459

IUPAC3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCCCC1CN(CCc2noc(C)n2)C(CC)CN1
InChIInChI=1S/C14H26N4O/c1-4-6-12-10-18(13(5-2)9-15-12)8-7-14-16-11(3)19-17-14/h12-13,15H,4-10H2,1-3H3
InChIKeyXFRZFSQMAJQNHZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.77
Rot. Bonds6

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

3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106421459) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106421459
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCCCC1CN(CCc2noc(C)n2)C(CC)CN1
InChIInChI=1S/C14H26N4O/c1-4-6-12-10-18(13(5-2)9-15-12)8-7-14-16-11(3)19-17-14/h12-13,15H,4-10H2,1-3H3
InChIKeyXFRZFSQMAJQNHZ-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421628
4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043590
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408536
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
2-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64941741
3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421485
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (CID 106421459) is 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is CCCC1CN(CCc2noc(C)n2)C(CC)CN1.
What is the InChIKey of 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is XFRZFSQMAJQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-12-10-18(13(5-2)9-15-12)8-7-14-16-11(3)19-17-14/h12-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 266.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).