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

C26H37NO5 — CID 23589985

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

2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 23589985) has the molecular formula C26H37NO5 and a molecular weight of 443.58 g/mol. Its IUPAC name is 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
• PubChem CID: 23589985
• Molecular Formula: C26H37NO5
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.27
• IUPAC Name: 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
• SMILES: CCCCc1ccc(OCCc2nc(C3CCCCC3)oc2C)cc1OC(C)(C)C(=O)O
• InChI: InChI=1S/C26H37NO5/c1-5-6-10-19-13-14-21(17-23(19)32-26(3,4)25(28)29)30-16-15-22-18(2)31-24(27-22)20-11-8-7-9-12-20/h13-14,17,20H,5-12,15-16H2,1-4H3,(H,28,29)
• InChIKey: LDWXLADRFQQJJA-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (CID 23589985) is 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.

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

The canonical SMILES for 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is CCCCc1ccc(OCCc2nc(C3CCCCC3)oc2C)cc1OC(C)(C)C(=O)O.

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

The InChIKey is LDWXLADRFQQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO5/c1-5-6-10-19-13-14-21(17-23(19)32-26(3,4)25(28)29)30-16-15-22-18(2)31-24(27-22)20-11-8-7-9-12-20/h13-14,17,20H,5-12,15-16H2,1-4H3,(H,28,29).

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

2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 443.58 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-butyl-5-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 23589985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).