2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid

C28H26FNO5 — CID 22633490

About 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid

2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 22633490) has the molecular formula C28H26FNO5 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
• PubChem CID: 22633490
• Molecular Formula: C28H26FNO5
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.18
• IUPAC Name: 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
• SMILES: Cc1oc(-c2cccc(-c3ccc(F)cc3)c2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
• InChI: InChI=1S/C28H26FNO5/c1-18-25(15-16-33-23-11-13-24(14-12-23)35-28(2,3)27(31)32)30-26(34-18)21-6-4-5-20(17-21)19-7-9-22(29)10-8-19/h4-14,17H,15-16H2,1-3H3,(H,31,32)
• InChIKey: GWZWOPGQLILHAW-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid?

The IUPAC name of 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid (CID 22633490) is 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid.

What is the SMILES notation for 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid?

The canonical SMILES for 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid is Cc1oc(-c2cccc(-c3ccc(F)cc3)c2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1.

What is the InChIKey of 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid?

The InChIKey is GWZWOPGQLILHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO5/c1-18-25(15-16-33-23-11-13-24(14-12-23)35-28(2,3)27(31)32)30-26(34-18)21-6-4-5-20(17-21)19-7-9-22(29)10-8-19/h4-14,17H,15-16H2,1-3H3,(H,31,32).

What are the key properties of 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid?

2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 475.52 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 22633490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).