2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

C34H29NO5 — CID 143294203

About 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid (PubChem CID 143294203) has the molecular formula C34H29NO5 and a molecular weight of 531.61 g/mol. Its IUPAC name is 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
• PubChem CID: 143294203
• Molecular Formula: C34H29NO5
• Molecular Weight: 531.61 g/mol
• Exact Mass: 531.20
• IUPAC Name: 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
• SMILES: O=C(c1ccccc1)c1ccccc1CC(Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)C(=O)O
• InChI: InChI=1S/C34H29NO5/c36-32(25-9-3-1-4-10-25)31-14-8-7-13-27(31)22-28(34(37)38)21-24-15-17-30(18-16-24)39-20-19-29-23-40-33(35-29)26-11-5-2-6-12-26/h1-18,23,28H,19-22H2,(H,37,38)
• InChIKey: RIXFESSRNJLYBX-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.61
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid (CID 143294203) is 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid.

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

The canonical SMILES for 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid is O=C(c1ccccc1)c1ccccc1CC(Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1)C(=O)O.

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

The InChIKey is RIXFESSRNJLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO5/c36-32(25-9-3-1-4-10-25)31-14-8-7-13-27(31)22-28(34(37)38)21-24-15-17-30(18-16-24)39-20-19-29-23-40-33(35-29)26-11-5-2-6-12-26/h1-18,23,28H,19-22H2,(H,37,38).

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

2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 531.61 g/mol, XLogP of 6.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 143294203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).