2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid

C34H31NO5 — CID 12966849

About 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid

2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid (PubChem CID 12966849) has the molecular formula C34H31NO5 and a molecular weight of 533.62 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid
• PubChem CID: 12966849
• Molecular Formula: C34H31NO5
• Molecular Weight: 533.62 g/mol
• Exact Mass: 533.22
• IUPAC Name: 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid
• SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)c(-c2ccccc2)c1
• InChI: InChI=1S/C34H31NO5/c1-23-30(35-32(39-23)27-16-14-25(15-17-27)24-10-6-4-7-11-24)20-21-38-28-18-19-31(40-34(2,3)33(36)37)29(22-28)26-12-8-5-9-13-26/h4-19,22H,20-21H2,1-3H3,(H,36,37)
• InChIKey: ANSKRTOCFMYIMN-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.62
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid?

The IUPAC name of 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid (CID 12966849) is 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid.

What is the SMILES notation for 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid?

The canonical SMILES for 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)c(-c2ccccc2)c1.

What is the InChIKey of 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid?

The InChIKey is ANSKRTOCFMYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO5/c1-23-30(35-32(39-23)27-16-14-25(15-17-27)24-10-6-4-7-11-24)20-21-38-28-18-19-31(40-34(2,3)33(36)37)29(22-28)26-12-8-5-9-13-26/h4-19,22H,20-21H2,1-3H3,(H,36,37).

What are the key properties of 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid?

2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid has a molecular weight of 533.62 g/mol, XLogP of 7.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid is sourced from PubChem (CID 12966849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).