5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole

C69H43F8N3O3S — CID 126495214

About 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole

5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole (PubChem CID 126495214) has the molecular formula C69H43F8N3O3S and a molecular weight of 1146.17 g/mol. Its IUPAC name is 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
• PubChem CID: 126495214
• Molecular Formula: C69H43F8N3O3S
• Molecular Weight: 1146.17 g/mol
• Exact Mass: 1145.29
• IUPAC Name: 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
• SMILES: Fc1cc(-c2ccccc2-c2oc(CCc3cccc(C(F)(F)F)c3)nc2-c2cccc(-c3cccc(-c4oc(/C=C/c5cccc(C(F)(F)F)c5)nc4-c4ccccc4)c3)c2)cc(-c2nc(/C=C/c3cccs3)oc2-c2cccc(F)c2)c1
• InChI: InChI=1S/C69H43F8N3O3S/c70-54-23-10-20-49(39-54)66-64(80-61(82-66)32-29-56-24-11-33-84-56)51-38-50(40-55(71)41-51)57-25-4-5-26-58(57)67-63(79-60(83-67)31-28-43-13-7-22-53(35-43)69(75,76)77)47-18-8-16-45(36-47)46-17-9-19-48(37-46)65-62(44-14-2-1-3-15-44)78-59(81-65)30-27-42-12-6-21-52(34-42)68(72,73)74/h1-27,29-30,32-41H,28,31H2/b30-27+,32-29+
• InChIKey: APFLPLQJMMEEIN-RQFJDYBMSA-N
• XLogP: 20.49
• TPSA: 78.09 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.17
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?

The IUPAC name of 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole (CID 126495214) is 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole.

What is the SMILES notation for 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?

The canonical SMILES for 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole is Fc1cc(-c2ccccc2-c2oc(CCc3cccc(C(F)(F)F)c3)nc2-c2cccc(-c3cccc(-c4oc(/C=C/c5cccc(C(F)(F)F)c5)nc4-c4ccccc4)c3)c2)cc(-c2nc(/C=C/c3cccs3)oc2-c2cccc(F)c2)c1.

What is the InChIKey of 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?

The InChIKey is APFLPLQJMMEEIN-RQFJDYBMSA-N. The full InChI is InChI=1S/C69H43F8N3O3S/c70-54-23-10-20-49(39-54)66-64(80-61(82-66)32-29-56-24-11-33-84-56)51-38-50(40-55(71)41-51)57-25-4-5-26-58(57)67-63(79-60(83-67)31-28-43-13-7-22-53(35-43)69(75,76)77)47-18-8-16-45(36-47)46-17-9-19-48(37-46)65-62(44-14-2-1-3-15-44)78-59(81-65)30-27-42-12-6-21-52(34-42)68(72,73)74/h1-27,29-30,32-41H,28,31H2/b30-27+,32-29+.

What are the key properties of 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?

5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole has a molecular weight of 1146.17 g/mol, XLogP of 20.49, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-fluoro-5-[5-(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-4-yl]phenyl]phenyl]-4-[3-[3-[4-phenyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole is sourced from PubChem (CID 126495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).