3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile

C144H107N29O10 — CID 159659135

About 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile

3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile (PubChem CID 159659135) has the molecular formula C144H107N29O10 and a molecular weight of 2403.63 g/mol. Its IUPAC name is 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
• PubChem CID: 159659135
• Molecular Formula: C144H107N29O10
• Molecular Weight: 2403.63 g/mol
• Exact Mass: 2401.88
• IUPAC Name: 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
• SMILES: Cc1ccc(CC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(-c3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C30H23N5O2.2C29H22N6O2.2C28H20N6O2/c1-20-4-5-22(13-25(20)16-29-33-12-10-27(35-29)24-3-2-11-32-18-24)15-28(36)23-8-6-21(7-9-23)14-26-19-34-30(17-31)37-26;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-35-29(17-30)37-28;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-29(17-30)37-35-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-34-33-27(16-29)36-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-33-27(16-29)36-34-28/h2-13,18-19H,14-16H2,1H3;2*2-13,18H,14-16H2,1H3;2*2-13,17H,14-15H2,1H3
• InChIKey: MSOKYLKWOJQIML-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 579.36 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.63
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?

The IUPAC name of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile (CID 159659135) is 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile.

What is the SMILES notation for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?

The canonical SMILES for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile is Cc1ccc(CC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(-c3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1.

What is the InChIKey of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?

The InChIKey is MSOKYLKWOJQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2.2C29H22N6O2.2C28H20N6O2/c1-20-4-5-22(13-25(20)16-29-33-12-10-27(35-29)24-3-2-11-32-18-24)15-28(36)23-8-6-21(7-9-23)14-26-19-34-30(17-31)37-26;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-35-29(17-30)37-28;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-29(17-30)37-35-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-34-33-27(16-29)36-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-33-27(16-29)36-34-28/h2-13,18-19H,14-16H2,1H3;2*2-13,18H,14-16H2,1H3;2*2-13,17H,14-15H2,1H3.

What are the key properties of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?

3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile has a molecular weight of 2403.63 g/mol, XLogP of 24.30, 38 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile is sourced from PubChem (CID 159659135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).