5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C127H108F12N20O8S3 — CID 157049897

About 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 157049897) has the molecular formula C127H108F12N20O8S3 and a molecular weight of 2366.57 g/mol. Its IUPAC name is 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 157049897
• Molecular Formula: C127H108F12N20O8S3
• Molecular Weight: 2366.57 g/mol
• Exact Mass: 2364.76
• IUPAC Name: 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: CCCCc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)cc(C(F)(F)F)c2)cc1.CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)no2)cc1OCC.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1c(CN(C)C)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1c(CN2CCCC2)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1
• InChI: InChI=1S/C25H22F3N3OS.C24H20F3N3O.C23H20F3N3OS.C21H14F3N3OS.C19H18N4O3.C15H14N4O/c1-16-18(15-31-12-5-6-13-31)10-7-11-19(16)23-29-24(32-30-23)21-14-20(17-8-3-2-4-9-17)22(33-21)25(26,27)28;1-2-3-4-16-5-7-17(8-6-16)19-13-20(15-21(14-19)24(25,26)27)23-29-22(30-31-23)18-9-11-28-12-10-18;1-14-16(13-29(2)3)10-7-11-17(14)21-27-22(30-28-21)19-12-18(15-8-5-4-6-9-15)20(31-19)23(24,25)26;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;1-3-24-15-6-5-12(11-16(15)25-4-2)19-22-18(23-26-19)14-8-10-21-17-13(14)7-9-20-17;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11/h2-4,7-11,14H,5-6,12-13,15H2,1H3;5-15H,2-4H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;5-11H,3-4H2,1-2H3,(H,20,21);3-10H,1-2H3
• InChIKey: AABMTNKAVKBECO-UHFFFAOYSA-N
• XLogP: 33.46
• TPSA: 328.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.57
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 157049897) is 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCCCc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)cc(C(F)(F)F)c2)cc1.CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)no2)cc1OCC.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1c(CN(C)C)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1c(CN2CCCC2)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1.

What is the InChIKey of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is AABMTNKAVKBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3OS.C24H20F3N3O.C23H20F3N3OS.C21H14F3N3OS.C19H18N4O3.C15H14N4O/c1-16-18(15-31-12-5-6-13-31)10-7-11-19(16)23-29-24(32-30-23)21-14-20(17-8-3-2-4-9-17)22(33-21)25(26,27)28;1-2-3-4-16-5-7-17(8-6-16)19-13-20(15-21(14-19)24(25,26)27)23-29-22(30-31-23)18-9-11-28-12-10-18;1-14-16(13-29(2)3)10-7-11-17(14)21-27-22(30-28-21)19-12-18(15-8-5-4-6-9-15)20(31-19)23(24,25)26;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;1-3-24-15-6-5-12(11-16(15)25-4-2)19-22-18(23-26-19)14-8-10-21-17-13(14)7-9-20-17;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11/h2-4,7-11,14H,5-6,12-13,15H2,1H3;5-15H,2-4H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;5-11H,3-4H2,1-2H3,(H,20,21);3-10H,1-2H3.

What are the key properties of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 2366.57 g/mol, XLogP of 33.46, 28 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 157049897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).