5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C18H22N6O — CID 120871215

IUPAC5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CN3CCNCC3c3nccn3C)n2)c1
InChIInChI=1S/C18H22N6O/c1-13-4-3-5-14(10-13)17-21-16(25-22-17)12-24-9-6-19-11-15(24)18-20-7-8-23(18)2/h3-5,7-8,10,15,19H,6,9,11-12H2,1-2H3
InChIKeyGJOQAJJRQLNASW-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.93
Rot. Bonds4

About 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 120871215) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID120871215
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CN3CCNCC3c3nccn3C)n2)c1
InChIInChI=1S/C18H22N6O/c1-13-4-3-5-14(10-13)17-21-16(25-22-17)12-24-9-6-19-11-15(24)18-20-7-8-23(18)2/h3-5,7-8,10,15,19H,6,9,11-12H2,1-2H3
InChIKeyGJOQAJJRQLNASW-UHFFFAOYSA-N
XLogP1.93
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870598
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 120871215) is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(CN3CCNCC3c3nccn3C)n2)c1.
What is the InChIKey of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is GJOQAJJRQLNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-4-3-5-14(10-13)17-21-16(25-22-17)12-24-9-6-19-11-15(24)18-20-7-8-23(18)2/h3-5,7-8,10,15,19H,6,9,11-12H2,1-2H3.
What are the key properties of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 338.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120871215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).