3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole

C64H47F9N8O4 — CID 90785955

About 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole

3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole (PubChem CID 90785955) has the molecular formula C64H47F9N8O4 and a molecular weight of 1163.11 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 90785955
• Molecular Formula: C64H47F9N8O4
• Molecular Weight: 1163.11 g/mol
• Exact Mass: 1162.36
• IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccc4cc(-c5noc(-c6ccc(C(C)(C)C)cc6)n5)ccc4c3)no2)cc1.Cc1ccc(-c2nc(-c3ccc4cc(-c5nc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)no5)ccc4c3)no2)c(C(F)(F)F)c1
• InChI: InChI=1S/C34H32N4O2.C30H15F9N4O2/c1-33(2,3)27-15-11-21(12-16-27)31-35-29(37-39-31)25-9-7-24-20-26(10-8-23(24)19-25)30-36-32(40-38-30)22-13-17-28(18-14-22)34(4,5)6;1-14-2-7-22(23(8-14)30(37,38)39)27-41-24(42-45-27)17-5-3-16-10-18(6-4-15(16)9-17)26-40-25(43-44-26)19-11-20(28(31,32)33)13-21(12-19)29(34,35)36/h7-20H,1-6H3;2-13H,1H3
• InChIKey: FWWAYIIKWVXXOC-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1163.11
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole (CID 90785955) is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole is CC(C)(C)c1ccc(-c2nc(-c3ccc4cc(-c5noc(-c6ccc(C(C)(C)C)cc6)n5)ccc4c3)no2)cc1.Cc1ccc(-c2nc(-c3ccc4cc(-c5nc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)no5)ccc4c3)no2)c(C(F)(F)F)c1.

What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?

The InChIKey is FWWAYIIKWVXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O2.C30H15F9N4O2/c1-33(2,3)27-15-11-21(12-16-27)31-35-29(37-39-31)25-9-7-24-20-26(10-8-23(24)19-25)30-36-32(40-38-30)22-13-17-28(18-14-22)34(4,5)6;1-14-2-7-22(23(8-14)30(37,38)39)27-41-24(42-45-27)17-5-3-16-10-18(6-4-15(16)9-17)26-40-25(43-44-26)19-11-20(28(31,32)33)13-21(12-19)29(34,35)36/h7-20H,1-6H3;2-13H,1H3.

What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?

3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole has a molecular weight of 1163.11 g/mol, XLogP of 18.51, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-[6-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 90785955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).