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

C25H25N5O2 — CID 46265177

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

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 46265177) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
• PubChem CID: 46265177
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
• SMILES: COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3cccc(C)c3)no2)CC1
• InChI: InChI=1S/C25H25N5O2/c1-18-7-5-8-19(17-18)23-27-25(32-28-23)20-9-6-12-26-24(20)30-15-13-29(14-16-30)21-10-3-4-11-22(21)31-2/h3-12,17H,13-16H2,1-2H3
• InChIKey: JAJBTHFTCUXVOU-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 67.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 46265177) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3cccc(C)c3)no2)CC1.

What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?

The InChIKey is JAJBTHFTCUXVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-7-5-8-19(17-18)23-27-25(32-28-23)20-9-6-12-26-24(20)30-15-13-29(14-16-30)21-10-3-4-11-22(21)31-2/h3-12,17H,13-16H2,1-2H3.

What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?

5-[2-[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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46265177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).