2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole

C26H18F4N4O3 — CID 90853462

About 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole

2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole (PubChem CID 90853462) has the molecular formula C26H18F4N4O3 and a molecular weight of 510.45 g/mol. Its IUPAC name is 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole
• PubChem CID: 90853462
• Molecular Formula: C26H18F4N4O3
• Molecular Weight: 510.45 g/mol
• Exact Mass: 510.13
• IUPAC Name: 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole
• SMILES: Cc1nc(-c2ccc(OCc3coc(C=Cc4ccc(C(F)(F)F)cc4F)n3)cc2)oc1-c1cnc[nH]1
• InChI: InChI=1S/C26H18F4N4O3/c1-15-24(22-11-31-14-32-22)37-25(33-15)17-3-7-20(8-4-17)35-12-19-13-36-23(34-19)9-5-16-2-6-18(10-21(16)27)26(28,29)30/h2-11,13-14H,12H2,1H3,(H,31,32)
• InChIKey: GWCLCOJCPALIAO-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 89.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.45
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole?

The IUPAC name of 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole (CID 90853462) is 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole.

What is the SMILES notation for 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole?

The canonical SMILES for 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole is Cc1nc(-c2ccc(OCc3coc(C=Cc4ccc(C(F)(F)F)cc4F)n3)cc2)oc1-c1cnc[nH]1.

What is the InChIKey of 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole?

The InChIKey is GWCLCOJCPALIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N4O3/c1-15-24(22-11-31-14-32-22)37-25(33-15)17-3-7-20(8-4-17)35-12-19-13-36-23(34-19)9-5-16-2-6-18(10-21(16)27)26(28,29)30/h2-11,13-14H,12H2,1H3,(H,31,32).

What are the key properties of 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole?

2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole has a molecular weight of 510.45 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-5-(1H-imidazol-5-yl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 90853462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).