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

C20H22Cl2N4O — CID 120757437

IUPAC5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H21ClN4O.ClH/c21-17-9-5-4-8-16(17)18-13-22-10-11-25(18)14-19-23-20(26-24-19)12-15-6-2-1-3-7-15;/h1-9,18,22H,10-14H2;1H
InChIKeyIJJLAVNIEJXYPC-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.88
Rot. Bonds5

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

5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120757437) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120757437
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H21ClN4O.ClH/c21-17-9-5-4-8-16(17)18-13-22-10-11-25(18)14-19-23-20(26-24-19)12-15-6-2-1-3-7-15;/h1-9,18,22H,10-14H2;1H
InChIKeyIJJLAVNIEJXYPC-UHFFFAOYSA-N
XLogP3.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758013
2-[5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120757428
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (CID 120757437) is 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1noc(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IJJLAVNIEJXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O.ClH/c21-17-9-5-4-8-16(17)18-13-22-10-11-25(18)14-19-23-20(26-24-19)12-15-6-2-1-3-7-15;/h1-9,18,22H,10-14H2;1H.
What are the key properties of 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 405.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120757437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).