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

C28H30N2O5 — CID 91313495

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

ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (PubChem CID 91313495) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• PubChem CID: 91313495
• Molecular Formula: C28H30N2O5
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.22
• IUPAC Name: ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• SMILES: CCOC(=O)[C@H](Cc1ccc(OCCc2nc(-c3ccc4ccccc4n3)oc2C)cc1)OCC
• InChI: InChI=1S/C28H30N2O5/c1-4-32-26(28(31)33-5-2)18-20-10-13-22(14-11-20)34-17-16-23-19(3)35-27(30-23)25-15-12-21-8-6-7-9-24(21)29-25/h6-15,26H,4-5,16-18H2,1-3H3/t26-/m0/s1
• InChIKey: JXGGNYGTVJLKCH-SANMLTNESA-N
• XLogP: 5.33
• TPSA: 83.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (CID 91313495) is ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

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

The canonical SMILES for ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is CCOC(=O)[C@H](Cc1ccc(OCCc2nc(-c3ccc4ccccc4n3)oc2C)cc1)OCC.

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

The InChIKey is JXGGNYGTVJLKCH-SANMLTNESA-N. The full InChI is InChI=1S/C28H30N2O5/c1-4-32-26(28(31)33-5-2)18-20-10-13-22(14-11-20)34-17-16-23-19(3)35-27(30-23)25-15-12-21-8-6-7-9-24(21)29-25/h6-15,26H,4-5,16-18H2,1-3H3/t26-/m0/s1.

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

ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate has a molecular weight of 474.56 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S)-2-ethoxy-3-[4-[2-(5-methyl-2-quinolin-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 91313495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).