TL;DR: 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)- (CAS 145440-90-0) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
Also Known As: 5-(Hydroxymethyl)-N-mesitylisoxazole-3-carboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide, 5-(Hydroxymethyl)-N-(2,4,6-trimethylphenyl)-3-isoxazolecarboxamide, 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-, 5-(HYDROXYMETHYL)-N-(2,4,6-TRIMETHYLPHENYL)OXAZOLE-3-CARBOXAMIDE
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.1161 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 Da |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C2=NOC(=C2)CO)C |
| InChIKey | UEQPKDMRLWIDHE-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)- is 145440-90-0.
The molecular formula of 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)- is C14H16N2O3.
The molecular weight of 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)- is 260.1161 g/mol.
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