2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride

C18H20Cl3N3OS — CID 120757775

IUPAC2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C18H18ClN3OS.2ClH/c19-14-5-2-1-4-13(14)15-10-20-7-8-22(15)12-18-21-11-16(23-18)17-6-3-9-24-17;;/h1-6,9,11,15,20H,7-8,10,12H2;2*1H
InChIKeyCKCFBFMZUPICLP-UHFFFAOYSA-N
MW432.80 g/mol
LogP5.05
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride

2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride (PubChem CID 120757775) has the molecular formula C18H20Cl3N3OS and a molecular weight of 432.80 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
PubChem CID120757775
Molecular FormulaC18H20Cl3N3OS
Molecular Weight432.80 g/mol
Exact Mass431.04
IUPAC Name2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C18H18ClN3OS.2ClH/c19-14-5-2-1-4-13(14)15-10-20-7-8-22(15)12-18-21-11-16(23-18)17-6-3-9-24-17;;/h1-6,9,11,15,20H,7-8,10,12H2;2*1H
InChIKeyCKCFBFMZUPICLP-UHFFFAOYSA-N
XLogP5.05
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.80
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride 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

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120771142
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
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
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride?
The IUPAC name of 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride (CID 120757775) is 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride?
The canonical SMILES for 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride is Cl.Cl.Clc1ccccc1C1CNCCN1Cc1ncc(-c2cccs2)o1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride?
The InChIKey is CKCFBFMZUPICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS.2ClH/c19-14-5-2-1-4-13(14)15-10-20-7-8-22(15)12-18-21-11-16(23-18)17-6-3-9-24-17;;/h1-6,9,11,15,20H,7-8,10,12H2;2*1H.
What are the key properties of 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride?
2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride has a molecular weight of 432.80 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 120757775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).