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

C19H20Cl2N4O — CID 120770738

IUPAC5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-8-4-7-15(11-16)17-12-21-9-10-24(17)13-18-22-19(23-25-18)14-5-2-1-3-6-14;/h1-8,11,17,21H,9-10,12-13H2;1H
InChIKeyPWWWSWCQWDFYSL-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.96
Rot. Bonds4

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

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 120770738) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
PubChem CID120770738
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-8-4-7-15(11-16)17-12-21-9-10-24(17)13-18-22-19(23-25-18)14-5-2-1-3-6-14;/h1-8,11,17,21H,9-10,12-13H2;1H
InChIKeyPWWWSWCQWDFYSL-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

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Related Compounds

3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 120771222
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120755789
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (CID 120770738) is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is Cl.Clc1cccc(C2CNCCN2Cc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is PWWWSWCQWDFYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.ClH/c20-16-8-4-7-15(11-16)17-12-21-9-10-24(17)13-18-22-19(23-25-18)14-5-2-1-3-6-14;/h1-8,11,17,21H,9-10,12-13H2;1H.
What are the key properties of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
5-[[2-(3-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-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120770738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).