2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid

C26H28FNO5 — CID 69247438

About 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid

2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid (PubChem CID 69247438) has the molecular formula C26H28FNO5 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid.

Molecular Properties

• Compound Name: 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid
• PubChem CID: 69247438
• Molecular Formula: C26H28FNO5
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.20
• IUPAC Name: 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid
• SMILES: CCOC(CCC=Cc1cc(F)ccc1OCCc1nc(-c2ccccc2)oc1C)C(=O)O
• InChI: InChI=1S/C26H28FNO5/c1-3-31-24(26(29)30)12-8-7-11-20-17-21(27)13-14-23(20)32-16-15-22-18(2)33-25(28-22)19-9-5-4-6-10-19/h4-7,9-11,13-14,17,24H,3,8,12,15-16H2,1-2H3,(H,29,30)
• InChIKey: UCMRAOBSQUJVJK-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid?

The IUPAC name of 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid (CID 69247438) is 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid.

What is the SMILES notation for 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid?

The canonical SMILES for 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid is CCOC(CCC=Cc1cc(F)ccc1OCCc1nc(-c2ccccc2)oc1C)C(=O)O.

What is the InChIKey of 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid?

The InChIKey is UCMRAOBSQUJVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO5/c1-3-31-24(26(29)30)12-8-7-11-20-17-21(27)13-14-23(20)32-16-15-22-18(2)33-25(28-22)19-9-5-4-6-10-19/h4-7,9-11,13-14,17,24H,3,8,12,15-16H2,1-2H3,(H,29,30).

What are the key properties of 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid?

2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid has a molecular weight of 453.51 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-6-[5-fluoro-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hex-5-enoic acid is sourced from PubChem (CID 69247438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).