[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

C108H93F3N22O10 — CID 158375650

About [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 158375650) has the molecular formula C108H93F3N22O10 and a molecular weight of 1916.07 g/mol. Its IUPAC name is [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
• PubChem CID: 158375650
• Molecular Formula: C108H93F3N22O10
• Molecular Weight: 1916.07 g/mol
• Exact Mass: 1914.74
• IUPAC Name: [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC.CNc1cccc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(N2CCCC2)c1.c1cc(-c2noc(-c3ccc(N4CCCC4)cc3)n2)ccn1
• InChI: InChI=1S/C24H17F3N4O.C20H22N2O4.2C17H16N4O.C16H10N4O2.C14H12N4O/c25-24(26,27)20-14-18(10-11-19(20)15-4-2-1-3-5-15)23-30-22(31-32-23)17-8-6-16(7-9-17)21-28-12-13-29-21;1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3;1-2-12-21(11-1)15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-2-11-21(10-1)15-5-3-4-14(12-15)17-19-16(20-22-17)13-6-8-18-9-7-13;1-2-12(14-9-21-10-18-14)8-13(3-1)16-19-15(20-22-16)11-4-6-17-7-5-11;1-15-12-4-2-3-11(9-12)14-17-13(18-19-14)10-5-7-16-8-6-10/h1-12,14,21,29H,13H2;6-11,23H,4-5,12H2,1-3H3;3-10H,1-2,11-12H2;3-9,12H,1-2,10-11H2;1-10H;2-9,15H,1H3
• InChIKey: GVDQQOGWEHZBRZ-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 392.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.07
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The IUPAC name of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (CID 158375650) is [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC.CNc1cccc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(N2CCCC2)c1.c1cc(-c2noc(-c3ccc(N4CCCC4)cc3)n2)ccn1.

What is the InChIKey of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The InChIKey is GVDQQOGWEHZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O.C20H22N2O4.2C17H16N4O.C16H10N4O2.C14H12N4O/c25-24(26,27)20-14-18(10-11-19(20)15-4-2-1-3-5-15)23-30-22(31-32-23)17-8-6-16(7-9-17)21-28-12-13-29-21;1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3;1-2-12-21(11-1)15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-2-11-21(10-1)15-5-3-4-14(12-15)17-19-16(20-22-17)13-6-8-18-9-7-13;1-2-12(14-9-21-10-18-14)8-13(3-1)16-19-15(20-22-16)11-4-6-17-7-5-11;1-15-12-4-2-3-11(9-12)14-17-13(18-19-14)10-5-7-16-8-6-10/h1-12,14,21,29H,13H2;6-11,23H,4-5,12H2,1-3H3;3-10H,1-2,11-12H2;3-9,12H,1-2,10-11H2;1-10H;2-9,15H,1H3.

What are the key properties of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 1916.07 g/mol, XLogP of 22.86, 23 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158375650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).