(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid

C26H24N2O4 — CID 59096884

About (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid

(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid (PubChem CID 59096884) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid.

Molecular Properties

• Compound Name: (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid
• PubChem CID: 59096884
• Molecular Formula: C26H24N2O4
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.17
• IUPAC Name: (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)c2cccnc2)cc1
• InChI: InChI=1S/C26H24N2O4/c1-18-24(28-25(32-18)20-6-3-2-4-7-20)13-15-31-22-11-9-19(10-12-22)16-23(26(29)30)21-8-5-14-27-17-21/h2-12,14,17,23H,13,15-16H2,1H3,(H,29,30)/t23-/m1/s1
• InChIKey: XGEWRQLHGONYJS-HSZRJFAPSA-N
• XLogP: 5.08
• TPSA: 85.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid?

The IUPAC name of (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid (CID 59096884) is (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid.

What is the SMILES notation for (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid?

The canonical SMILES for (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)c2cccnc2)cc1.

What is the InChIKey of (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid?

The InChIKey is XGEWRQLHGONYJS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-18-24(28-25(32-18)20-6-3-2-4-7-20)13-15-31-22-11-9-19(10-12-22)16-23(26(29)30)21-8-5-14-27-17-21/h2-12,14,17,23H,13,15-16H2,1H3,(H,29,30)/t23-/m1/s1.

What are the key properties of (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid?

(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid has a molecular weight of 428.49 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 59096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).