ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate

C26H31NO5 — CID 23589999

About ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate

ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate (PubChem CID 23589999) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate.

Molecular Properties

• Compound Name: ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
• PubChem CID: 23589999
• Molecular Formula: C26H31NO5
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.22
• IUPAC Name: ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
• SMILES: CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3cccc(CC)c3)oc2C)cc1
• InChI: InChI=1S/C26H31NO5/c1-6-19-9-8-10-20(17-19)24-27-23(18(3)31-24)15-16-30-21-11-13-22(14-12-21)32-26(4,5)25(28)29-7-2/h8-14,17H,6-7,15-16H2,1-5H3
• InChIKey: WNYIXXVJDBFTMQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?

The IUPAC name of ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate (CID 23589999) is ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate.

What is the SMILES notation for ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?

The canonical SMILES for ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3cccc(CC)c3)oc2C)cc1.

What is the InChIKey of ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?

The InChIKey is WNYIXXVJDBFTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-6-19-9-8-10-20(17-19)24-27-23(18(3)31-24)15-16-30-21-11-13-22(14-12-21)32-26(4,5)25(28)29-7-2/h8-14,17H,6-7,15-16H2,1-5H3.

What are the key properties of ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?

ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate has a molecular weight of 437.54 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 23589999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).