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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C126H97F12N17O6S6 — CID 158107807

About 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 158107807) has the molecular formula C126H97F12N17O6S6 and a molecular weight of 2365.65 g/mol. Its IUPAC name is 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 158107807
• Molecular Formula: C126H97F12N17O6S6
• Molecular Weight: 2365.65 g/mol
• Exact Mass: 2363.59
• IUPAC Name: 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: 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.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C)s2)n1.Cc1sc(-c2nc(-c3ccncc3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1
• InChI: InChI=1S/C25H22F3N3OS.C23H20F3N3OS.C21H14F3N3OS.C20H13F3N2OS.C19H15N3OS.C18H13N3OS/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;1-14-16(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;1-12-7-5-6-10-14(12)18-24-19(26-25-18)16-11-15(13-8-3-2-4-9-13)17(27-16)20(21,22)23;1-12-11-20-9-8-15(12)18-21-19(23-22-18)17-10-16(13(2)24-17)14-6-4-3-5-7-14;1-12-15(13-5-3-2-4-6-13)11-16(23-12)18-20-17(21-22-18)14-7-9-19-10-8-14/h2-4,7-11,14H,5-6,12-13,15H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;2-11H,1H3;3-11H,1-2H3;2-11H,1H3
• InChIKey: FQBBEVYEZAFWLO-UHFFFAOYSA-N
• XLogP: 36.13
• TPSA: 277.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.65
LogP ≤ 5	36.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 158107807) is 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;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 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is 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.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C)s2)n1.Cc1sc(-c2nc(-c3ccncc3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1.

What is the InChIKey of 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is FQBBEVYEZAFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3OS.C23H20F3N3OS.C21H14F3N3OS.C20H13F3N2OS.C19H15N3OS.C18H13N3OS/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;1-14-16(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;1-12-7-5-6-10-14(12)18-24-19(26-25-18)16-11-15(13-8-3-2-4-9-13)17(27-16)20(21,22)23;1-12-11-20-9-8-15(12)18-21-19(23-22-18)17-10-16(13(2)24-17)14-6-4-3-5-7-14;1-12-15(13-5-3-2-4-6-13)11-16(23-12)18-20-17(21-22-18)14-7-9-19-10-8-14/h2-4,7-11,14H,5-6,12-13,15H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;2-11H,1H3;3-11H,1-2H3;2-11H,1H3.

What are the key properties of 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;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 2365.65 g/mol, XLogP of 36.13, 22 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;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 158107807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).