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

C29H41NO5 — CID 22261188

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

2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 22261188) has the molecular formula C29H41NO5 and a molecular weight of 483.65 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
• PubChem CID: 22261188
• Molecular Formula: C29H41NO5
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.30
• IUPAC Name: 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
• SMILES: Cc1oc(C2CCCCC2)nc1CCOc1ccc(OC(C)(C)C(=O)O)c(CC2CCCCC2)c1
• InChI: InChI=1S/C29H41NO5/c1-20-25(30-27(34-20)22-12-8-5-9-13-22)16-17-33-24-14-15-26(35-29(2,3)28(31)32)23(19-24)18-21-10-6-4-7-11-21/h14-15,19,21-22H,4-13,16-18H2,1-3H3,(H,31,32)
• InChIKey: DSBZBXSHVDFZLL-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (CID 22261188) is 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.

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

The canonical SMILES for 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is Cc1oc(C2CCCCC2)nc1CCOc1ccc(OC(C)(C)C(=O)O)c(CC2CCCCC2)c1.

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

The InChIKey is DSBZBXSHVDFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO5/c1-20-25(30-27(34-20)22-12-8-5-9-13-22)16-17-33-24-14-15-26(35-29(2,3)28(31)32)23(19-24)18-21-10-6-4-7-11-21/h14-15,19,21-22H,4-13,16-18H2,1-3H3,(H,31,32).

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

2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 483.65 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexylmethyl)-4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 22261188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).