(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine

C25H22ClN3O5 — CID 16605634

About (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine

(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine (PubChem CID 16605634) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine.

Molecular Properties

• Compound Name: (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
• PubChem CID: 16605634
• Molecular Formula: C25H22ClN3O5
• Molecular Weight: 479.92 g/mol
• Exact Mass: 479.12
• IUPAC Name: (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
• SMILES: COc1ccc(-c2nnc(CO/N=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)o2)cc1
• InChI: InChI=1S/C25H22ClN3O5/c1-30-21-10-6-19(7-11-21)25-29-28-24(34-25)16-33-27-14-18-5-12-22(23(13-18)31-2)32-15-17-3-8-20(26)9-4-17/h3-14H,15-16H2,1-2H3/b27-14+
• InChIKey: PJXBOBLYAKMXNG-MZJWZYIUSA-N
• XLogP: 5.54
• TPSA: 88.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.92
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?

The IUPAC name of (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine (CID 16605634) is (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine.

What is the SMILES notation for (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?

The canonical SMILES for (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine is COc1ccc(-c2nnc(CO/N=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)o2)cc1.

What is the InChIKey of (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?

The InChIKey is PJXBOBLYAKMXNG-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-30-21-10-6-19(7-11-21)25-29-28-24(34-25)16-33-27-14-18-5-12-22(23(13-18)31-2)32-15-17-3-8-20(26)9-4-17/h3-14H,15-16H2,1-2H3/b27-14+.

What are the key properties of (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine?

(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine has a molecular weight of 479.92 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine is sourced from PubChem (CID 16605634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).