TL;DR: 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- (CAS 130402-93-6) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,6-dimethylphenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole-3-carboxamide
Also Known As: 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)-, 4,5-Dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)-3-isoxazolecarboxamide, N-(2,6-dimethylphenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole-3-carboxamide, 4,5-Dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)isoxazole-3-carboxamide, BRN 5818121
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | CC1C(ON=C1C(=O)NC2=C(C=CC=C2C)C)C |
| InChIKey | QRFYGTRSBAYBIW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)-. With a topological polar surface area (TPSA) of 50.7 Ų, 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- is 130402-93-6.
The molecular formula of 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- is C14H18N2O2.
The molecular weight of 3-Isoxazolecarboxamide, 4,5-dihydro-4,5-dimethyl-N-(2,6-dimethylphenyl)- is 246.13683 g/mol.
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