ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate

C26H31NO5 — CID 69312031

About ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate

ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate (PubChem CID 69312031) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate
• PubChem CID: 69312031
• Molecular Formula: C26H31NO5
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.22
• IUPAC Name: ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate
• SMILES: CCCCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1OCC(=O)OCC
• InChI: InChI=1S/C26H31NO5/c1-4-6-10-21-17-22(13-14-24(21)31-18-25(28)29-5-2)30-16-15-23-19(3)32-26(27-23)20-11-8-7-9-12-20/h7-9,11-14,17H,4-6,10,15-16,18H2,1-3H3
• InChIKey: DIWYKGQLXJUEEY-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate (CID 69312031) is ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate.

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

The canonical SMILES for ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate is CCCCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1OCC(=O)OCC.

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

The InChIKey is DIWYKGQLXJUEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-4-6-10-21-17-22(13-14-24(21)31-18-25(28)29-5-2)30-16-15-23-19(3)32-26(27-23)20-11-8-7-9-12-20/h7-9,11-14,17H,4-6,10,15-16,18H2,1-3H3.

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

ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate has a molecular weight of 437.54 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate is sourced from PubChem (CID 69312031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).