4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C26H23NO6 — CID 4280278

About 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 4280278) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
• PubChem CID: 4280278
• Molecular Formula: C26H23NO6
• Molecular Weight: 445.47 g/mol
• Exact Mass: 445.15
• IUPAC Name: 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
• SMILES: COc1ccc(OCCOc2ccccc2OC)c(C=C2N=C(c3ccccc3)OC2=O)c1
• InChI: InChI=1S/C26H23NO6/c1-29-20-12-13-22(31-14-15-32-24-11-7-6-10-23(24)30-2)19(16-20)17-21-26(28)33-25(27-21)18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3
• InChIKey: RHSMHMLKLMWUHK-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 75.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.47
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?

The IUPAC name of 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 4280278) is 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

What is the SMILES notation for 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?

The canonical SMILES for 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccc(OCCOc2ccccc2OC)c(C=C2N=C(c3ccccc3)OC2=O)c1.

What is the InChIKey of 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?

The InChIKey is RHSMHMLKLMWUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-29-20-12-13-22(31-14-15-32-24-11-7-6-10-23(24)30-2)19(16-20)17-21-26(28)33-25(27-21)18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3.

What are the key properties of 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?

4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 445.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 4280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).