3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C84H51F12N13O4S4 — CID 159221653

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 159221653) has the molecular formula C84H51F12N13O4S4 and a molecular weight of 1662.66 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• PubChem CID: 159221653
• Molecular Formula: C84H51F12N13O4S4
• Molecular Weight: 1662.66 g/mol
• Exact Mass: 1661.29
• IUPAC Name: 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• SMILES: FC(F)(F)c1sc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.Nc1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1
• InChI: InChI=1S/C23H13F3N2OS.C22H15F3N4OS.C21H12F3N3OS.C18H11F3N4OS/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;23-22(24,25)18-16(13-4-2-1-3-5-13)12-17(31-18)21-28-20(29-30-21)15-8-6-14(7-9-15)19-26-10-11-27-19;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;19-18(20,21)15-12(10-4-2-1-3-5-10)9-13(27-15)17-24-16(25-26-17)11-6-7-23-14(22)8-11/h1-13H;1-9,12H,10-11H2,(H,26,27);1-11,25H;1-9H,(H2,22,23)
• InChIKey: KRTPJXPHBFQABB-UHFFFAOYSA-N
• XLogP: 24.57
• TPSA: 234.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.66
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 159221653) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1sc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.Nc1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1.

What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The InChIKey is KRTPJXPHBFQABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2OS.C22H15F3N4OS.C21H12F3N3OS.C18H11F3N4OS/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;23-22(24,25)18-16(13-4-2-1-3-5-13)12-17(31-18)21-28-20(29-30-21)15-8-6-14(7-9-15)19-26-10-11-27-19;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;19-18(20,21)15-12(10-4-2-1-3-5-10)9-13(27-15)17-24-16(25-26-17)11-6-7-23-14(22)8-11/h1-13H;1-9,12H,10-11H2,(H,26,27);1-11,25H;1-9H,(H2,22,23).

What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 1662.66 g/mol, XLogP of 24.57, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 159221653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).