5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C110H95F3N12O16S — CID 160662416

About 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 160662416) has the molecular formula C110H95F3N12O16S and a molecular weight of 1930.10 g/mol. Its IUPAC name is 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
• PubChem CID: 160662416
• Molecular Formula: C110H95F3N12O16S
• Molecular Weight: 1930.10 g/mol
• Exact Mass: 1928.67
• IUPAC Name: 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
• SMILES: COc1ccc(-c2ccc(-c3nc(-c4ccccc4OC)no3)cc2C)c(OC)c1.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(OC)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1c(C)noc1C
• InChI: InChI=1S/C24H22N2O4.C23H20N2O3.C21H16F3N3O3.C21H19N3O3.C21H18N2O3S/c1-15-13-16(9-11-18(15)19-12-10-17(27-2)14-22(19)29-4)24-25-23(26-30-24)20-7-5-6-8-21(20)28-3;1-15-8-4-5-9-17(15)18-13-12-16(14-21(18)27-3)23-24-22(25-28-23)19-10-6-7-11-20(19)26-2;1-11-10-14(8-9-15(11)18-12(2)26-29-13(18)3)20-25-19(27-30-20)16-6-4-5-7-17(16)28-21(22,23)24;1-12-11-15(9-10-16(12)19-13(2)23-26-14(19)3)21-22-20(24-27-21)17-7-5-6-8-18(17)25-4;1-13-11-27-12-17(13)15-9-8-14(10-19(15)25-3)21-22-20(23-26-21)16-6-4-5-7-18(16)24-2/h5-14H,1-4H3;4-14H,1-3H3;4-10H,1-3H3;5-11H,1-4H3;4-12H,1-3H3
• InChIKey: RLVUGXKNHSVYRK-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 329.73 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.10
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 160662416) is 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3nc(-c4ccccc4OC)no3)cc2C)c(OC)c1.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(OC)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1c(C)noc1C.

What is the InChIKey of 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?

The InChIKey is RLVUGXKNHSVYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4.C23H20N2O3.C21H16F3N3O3.C21H19N3O3.C21H18N2O3S/c1-15-13-16(9-11-18(15)19-12-10-17(27-2)14-22(19)29-4)24-25-23(26-30-24)20-7-5-6-8-21(20)28-3;1-15-8-4-5-9-17(15)18-13-12-16(14-21(18)27-3)23-24-22(25-28-23)19-10-6-7-11-20(19)26-2;1-11-10-14(8-9-15(11)18-12(2)26-29-13(18)3)20-25-19(27-30-20)16-6-4-5-7-17(16)28-21(22,23)24;1-12-11-15(9-10-16(12)19-13(2)23-26-14(19)3)21-22-20(24-27-21)17-7-5-6-8-18(17)25-4;1-13-11-27-12-17(13)15-9-8-14(10-19(15)25-3)21-22-20(23-26-21)16-6-4-5-7-18(16)24-2/h5-14H,1-4H3;4-14H,1-3H3;4-10H,1-3H3;5-11H,1-4H3;4-12H,1-3H3.

What are the key properties of 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?

5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 1930.10 g/mol, XLogP of 27.13, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2,4-dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 160662416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).