TL;DR: 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (CAS 107821-64-7) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
Also Known As: 2-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole, 1,3,4-Oxadiazole, 2-(4-methoxyphenyl)-5-(2-nitrophenyl)-, 2-<2-Nitro-phenyl>-5-<4-methoxy-phenyl>-1,3,4-oxdiazol, 4-methoxy-1-[5-(2-nitrophenyl)(1,3,4-oxadiazol-2-yl)]benzene
| Molecular Formula | C15H11N3O4 |
| Molecular Weight | 297.07495 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.07495 Da |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | BDJAEXMUQMNMAR-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is 107821-64-7.
The molecular formula of 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is C15H11N3O4.
The molecular weight of 2-(4-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is 297.07495 g/mol.
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