2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

C24H26NO6- — CID 18003547

About 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (PubChem CID 18003547) has the molecular formula C24H26NO6- and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• PubChem CID: 18003547
• Molecular Formula: C24H26NO6-
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.18
• IUPAC Name: 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• SMILES: CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c(OC)c1)C(=O)[O-]
• InChI: InChI=1S/C24H27NO6/c1-4-29-22(24(26)27)15-17-10-11-20(21(14-17)28-3)30-13-12-19-16(2)31-23(25-19)18-8-6-5-7-9-18/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,26,27)/p-1
• InChIKey: RSFWWSHVDCHJKI-UHFFFAOYSA-M
• XLogP: 2.98
• TPSA: 93.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The IUPAC name of 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (CID 18003547) is 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

What is the SMILES notation for 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The canonical SMILES for 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c(OC)c1)C(=O)[O-].

What is the InChIKey of 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The InChIKey is RSFWWSHVDCHJKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H27NO6/c1-4-29-22(24(26)27)15-17-10-11-20(21(14-17)28-3)30-13-12-19-16(2)31-23(25-19)18-8-6-5-7-9-18/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,26,27)/p-1.

What are the key properties of 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate has a molecular weight of 424.47 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 18003547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).