TL;DR: 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)- (CAS 139297-28-2) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl carbamate
Also Known As: 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)-, 5-(((Aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)-3-isoxazolecarboxamide, 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)emthyl)-N-(2,6-dimethylphenyl)-, {3-[(2,6-DIMETHYLPHENYL)CARBAMOYL]-1,2-OXAZOL-5-YL}METHYL CARBAMATE, [3-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazol-5-yl]methyl carbamate
| Molecular Formula | C14H15N3O4 |
| Molecular Weight | 289.10626 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.10626 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC(=O)N |
| InChIKey | OJYKPKAHLKWENP-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)-. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)- has 2 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-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)- is 139297-28-2.
The molecular formula of 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)- is C14H15N3O4.
The molecular weight of 3-Isoxazolecarboxamide, 5-(((aminocarbonyl)oxy)methyl)-N-(2,6-dimethylphenyl)- is 289.10626 g/mol.
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