TL;DR: 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (CAS 110973-83-6) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-nitrophenyl)-3,5,7,7a-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
Also Known As: 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole, Naphtho[2,1-b]thiophen-3,3-dioxid, 1-(4-nitrophenyl)tetrahydro-1H-oxazolo[3,4-c]oxazole, 1H,3H,5H-Oxazolo[3,4-c]oxazole, dihydro-1-(4-nitrophenyl)-, 1-(4-nitrophenyl)dihydro-1H,3H,5H-oxazolo[3,4-c]oxazole
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.07971 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.07971 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | C1C2C(OCN2CO1)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | DBDXAJVSKWAGLH-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is 110973-83-6.
The molecular formula of 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is C11H12N2O4.
The molecular weight of 1-(4-nitrophenyl)dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is 236.07971 g/mol.
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