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

C19H20Cl2N4O — CID 120757781

IUPAC5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-24(17)13-18-22-19(23-25-18)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2;1H
InChIKeySBRGXJZWBIXNKC-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.96
Rot. Bonds4

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

5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 120757781) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
PubChem CID120757781
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-24(17)13-18-22-19(23-25-18)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2;1H
InChIKeySBRGXJZWBIXNKC-UHFFFAOYSA-N
XLogP3.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
2-[5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120757428
5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757437
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120753588
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
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
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-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (CID 120757781) is 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is SBRGXJZWBIXNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-24(17)13-18-22-19(23-25-18)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2;1H.
What are the key properties of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120757781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).