ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate

C36H34FNO5 — CID 69354707

About ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate

ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate (PubChem CID 69354707) has the molecular formula C36H34FNO5 and a molecular weight of 579.67 g/mol. Its IUPAC name is ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
• PubChem CID: 69354707
• Molecular Formula: C36H34FNO5
• Molecular Weight: 579.67 g/mol
• Exact Mass: 579.24
• IUPAC Name: ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
• SMILES: CCOC(=O)C(C)(Cc1ccc(OCCc2nc(-c3cccc(-c4ccc(F)cc4)c3)oc2C)cc1)Oc1ccccc1
• InChI: InChI=1S/C36H34FNO5/c1-4-40-35(39)36(3,43-32-11-6-5-7-12-32)24-26-13-19-31(20-14-26)41-22-21-33-25(2)42-34(38-33)29-10-8-9-28(23-29)27-15-17-30(37)18-16-27/h5-20,23H,4,21-22,24H2,1-3H3
• InChIKey: YORFGEYJAQEJDJ-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.67
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate (CID 69354707) is ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate.

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

The canonical SMILES for ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate is CCOC(=O)C(C)(Cc1ccc(OCCc2nc(-c3cccc(-c4ccc(F)cc4)c3)oc2C)cc1)Oc1ccccc1.

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

The InChIKey is YORFGEYJAQEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FNO5/c1-4-40-35(39)36(3,43-32-11-6-5-7-12-32)24-26-13-19-31(20-14-26)41-22-21-33-25(2)42-34(38-33)29-10-8-9-28(23-29)27-15-17-30(37)18-16-27/h5-20,23H,4,21-22,24H2,1-3H3.

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

ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate has a molecular weight of 579.67 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate is sourced from PubChem (CID 69354707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).