5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C25H25N5O2 — CID 53126729

IUPAC5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1
InChIInChI=1S/C25H25N5O2/c1-18-6-5-7-19(16-18)24-27-25(32-28-24)20-10-11-23(26-17-20)30-14-12-29(13-15-30)21-8-3-4-9-22(21)31-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyATQMGMRCLGWAGB-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.44
Rot. Bonds5

About 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 53126729) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID53126729
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1
InChIInChI=1S/C25H25N5O2/c1-18-6-5-7-19(16-18)24-27-25(32-28-24)20-10-11-23(26-17-20)30-14-12-29(13-15-30)21-8-3-4-9-22(21)31-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyATQMGMRCLGWAGB-UHFFFAOYSA-N
XLogP4.44
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46265177
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53126761
3-(4-methoxyphenyl)-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53126709
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037147
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46689292
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 53126729) is 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1.
What is the InChIKey of 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ATQMGMRCLGWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-6-5-7-19(16-18)24-27-25(32-28-24)20-10-11-23(26-17-20)30-14-12-29(13-15-30)21-8-3-4-9-22(21)31-2/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 427.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).