[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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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

C122H111F3N26O10 — CID 157302889

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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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 157302889) has the molecular formula C122H111F3N26O10 and a molecular weight of 2158.40 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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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: 157302889
• Molecular Formula: C122H111F3N26O10
• Molecular Weight: 2158.40 g/mol
• Exact Mass: 2156.89
• 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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.CN(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CNc1cccc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.c1cc(-c2nc(-c3ccncc3)no2)cc(N2CCCC2)c1.c1cc(-c2noc(-c3ccc(N4CCCC4)cc3)n2)ccn1
• InChI: InChI=1S/C24H17F3N4O.C20H22N2O4.2C17H16N4O.2C15H14N4O.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;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11;1-19(2)13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;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;2*3-10H,1-2H3;2-9,15H,1H3
• InChIKey: BCCMJXFTEJAQKQ-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 424.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.40
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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 157302889) 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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.CN(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CNc1cccc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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 BCCMJXFTEJAQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O.C20H22N2O4.2C17H16N4O.2C15H14N4O.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;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11;1-19(2)13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;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;2*3-10H,1-2H3;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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 2158.40 g/mol, XLogP of 25.13, 26 rotatable bonds, 3 hydrogen bond donors, and 36 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,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;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 157302889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).