5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

C14H26N4O — CID 64978637

IUPAC5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CC(CC)NCC2CC)n1
InChIInChI=1S/C14H26N4O/c1-4-7-13-16-14(19-17-13)10-18-9-11(5-2)15-8-12(18)6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyWZHABBHBGJROEN-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.98
Rot. Bonds6

About 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 64978637) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID64978637
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CC(CC)NCC2CC)n1
InChIInChI=1S/C14H26N4O/c1-4-7-13-16-14(19-17-13)10-18-9-11(5-2)15-8-12(18)6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyWZHABBHBGJROEN-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 64978789
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64980670
3-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421459
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
5-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole
CID 106421628
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 63910624
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80606647
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319953
5-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 107439882

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 64978637) is 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CC(CC)NCC2CC)n1.
What is the InChIKey of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is WZHABBHBGJROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-13-16-14(19-17-13)10-18-9-11(5-2)15-8-12(18)6-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 266.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 64978637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).