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 Donors | |
|---|
| 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'} |
|---|
Analyze (E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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).