5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C22H26N4O — CID 120758013

IUPAC5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3
InChIKeyBFGADAQVQYXXQC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds6

About 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 120758013) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID120758013
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3
InChIKeyBFGADAQVQYXXQC-UHFFFAOYSA-N
XLogP3.37
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758089
5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757437
5-tert-butyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758056
3-tert-butyl-5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758116
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
CID 120758112
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106421514
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 120758013) is 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BFGADAQVQYXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3.
What are the key properties of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 362.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120758013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).