5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid

C24H23F4NO5 — CID 22398593

About 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid

5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 22398593) has the molecular formula C24H23F4NO5 and a molecular weight of 481.44 g/mol. Its IUPAC name is 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
• PubChem CID: 22398593
• Molecular Formula: C24H23F4NO5
• Molecular Weight: 481.44 g/mol
• Exact Mass: 481.15
• IUPAC Name: 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
• SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(Cc1onc(-c2ccccc2)c1C(=O)O)C(F)(F)F
• InChI: InChI=1S/C24H23F4NO5/c1-22(2,16-11-15(25)9-10-17(16)33-3)13-23(32,24(26,27)28)12-18-19(21(30)31)20(29-34-18)14-7-5-4-6-8-14/h4-11,32H,12-13H2,1-3H3,(H,30,31)
• InChIKey: HXXAQYJONIHZTG-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.44
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid (CID 22398593) is 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1onc(-c2ccccc2)c1C(=O)O)C(F)(F)F.

What is the InChIKey of 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid?

The InChIKey is HXXAQYJONIHZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4NO5/c1-22(2,16-11-15(25)9-10-17(16)33-3)13-23(32,24(26,27)28)12-18-19(21(30)31)20(29-34-18)14-7-5-4-6-8-14/h4-11,32H,12-13H2,1-3H3,(H,30,31).

What are the key properties of 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid?

5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 481.44 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 22398593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).