TL;DR: 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole (CAS 1448590-02-0) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole
Also Known As: 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole, J2.453.900H, AM-970/41069505, 3-(2-{4-nitro-3-methyl-5-isoxazolyl}vinyl)pyridine, 3-[2-(3-Methyl-4-nitroisoxazole-5-yl)vinyl]pyridine
| Molecular Formula | C11H9N3O3 |
| Molecular Weight | 231.06439 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06439 Da |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CN=CC=C2 |
| InChIKey | SRWLVUSPLVSADH-SNAWJCMRSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole. Following Lipinski's Rule of Five, 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-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 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole is 1448590-02-0.
The molecular formula of 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole is C11H9N3O3.
The molecular weight of 3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole is 231.06439 g/mol.
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