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

C21H25ClN4O2 — CID 120753588

IUPAC5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-26-19-10-6-5-9-17(19)18-15-22-12-14-25(18)13-11-20-23-21(24-27-20)16-7-3-2-4-8-16;/h2-10,18,22H,11-15H2,1H3;1H
InChIKeyLCYQKVQBNFVNRJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.36
Rot. Bonds6

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

5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 120753588) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
PubChem CID120753588
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-26-19-10-6-5-9-17(19)18-15-22-12-14-25(18)13-11-20-23-21(24-27-20)16-7-3-2-4-8-16;/h2-10,18,22H,11-15H2,1H3;1H
InChIKeyLCYQKVQBNFVNRJ-UHFFFAOYSA-N
XLogP3.36
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
CID 120753952
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
3-[(4-fluorophenoxy)methyl]-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120753436
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (CID 120753588) is 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is COc1ccccc1C1CNCCN1CCc1nc(-c2ccccc2)no1.Cl.
What is the InChIKey of 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is LCYQKVQBNFVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-26-19-10-6-5-9-17(19)18-15-22-12-14-25(18)13-11-20-23-21(24-27-20)16-7-3-2-4-8-16;/h2-10,18,22H,11-15H2,1H3;1H.
What are the key properties of 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120753588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).