5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C15H19Cl3N4O2 — CID 120956467

IUPAC5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(CCOc2cccc(Cl)c2Cl)n1.Cl
InChIInChI=1S/C15H18Cl2N4O2.ClH/c1-21-7-6-18-9-11(21)15-19-13(23-20-15)5-8-22-12-4-2-3-10(16)14(12)17;/h2-4,11,18H,5-9H2,1H3;1H
InChIKeyYIKGZLHEHYUUQW-UHFFFAOYSA-N
MW393.70 g/mol
LogP3.00
Rot. Bonds5

About 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120956467) has the molecular formula C15H19Cl3N4O2 and a molecular weight of 393.70 g/mol. Its IUPAC name is 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120956467
Molecular FormulaC15H19Cl3N4O2
Molecular Weight393.70 g/mol
Exact Mass392.06
IUPAC Name5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(CCOc2cccc(Cl)c2Cl)n1.Cl
InChIInChI=1S/C15H18Cl2N4O2.ClH/c1-21-7-6-18-9-11(21)15-19-13(23-20-15)5-8-22-12-4-2-3-10(16)14(12)17;/h2-4,11,18H,5-9H2,1H3;1H
InChIKeyYIKGZLHEHYUUQW-UHFFFAOYSA-N
XLogP3.00
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-[2-(2-chlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961071
5-[(2,6-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959616
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120957753
5-[(2-chloro-6-fluorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957597
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
5-[2-(3,4-dichlorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958835
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984
5-[(2,5-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960201
4-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]benzamide;hydrochloride
CID 120961454

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120956467) is 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(CCOc2cccc(Cl)c2Cl)n1.Cl.
What is the InChIKey of 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YIKGZLHEHYUUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2.ClH/c1-21-7-6-18-9-11(21)15-19-13(23-20-15)5-8-22-12-4-2-3-10(16)14(12)17;/h2-4,11,18H,5-9H2,1H3;1H.
What are the key properties of 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 393.70 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120956467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).