2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde

C27H25NO5 — CID 18003549

About 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde

2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde (PubChem CID 18003549) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde
• PubChem CID: 18003549
• Molecular Formula: C27H25NO5
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde
• SMILES: COc1ccc(COc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2C=O)cc1
• InChI: InChI=1S/C27H25NO5/c1-19-25(28-27(33-19)21-6-4-3-5-7-21)14-15-31-24-13-10-22(17-29)26(16-24)32-18-20-8-11-23(30-2)12-9-20/h3-13,16-17H,14-15,18H2,1-2H3
• InChIKey: UGXWZSYRAMYNQM-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde?

The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde (CID 18003549) is 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde.

What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde?

The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde is COc1ccc(COc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2C=O)cc1.

What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde?

The InChIKey is UGXWZSYRAMYNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-19-25(28-27(33-19)21-6-4-3-5-7-21)14-15-31-24-13-10-22(17-29)26(16-24)32-18-20-8-11-23(30-2)12-9-20/h3-13,16-17H,14-15,18H2,1-2H3.

What are the key properties of 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde?

2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde has a molecular weight of 443.50 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 18003549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).