3-(tert-Butylamino)-5-methylisoxazole
TL;DR: 3-(tert-Butylamino)-5-methylisoxazole (CAS 13999-34-3) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-5-methyl-1,2-oxazol-3-amine
Also Known As: 3-(tert-Butylamino)-5-methylisoxazole, n-tert-butyl-5-methyl-1,2-oxazol-3-amine, N-(tert-butyl)-5-methylisoxazol-3-amine, N-tert-Butyl-5-methyl-1,2-oxazol-3(2H)-imine, 3-Isoxazolamine, N-(1,1-dimethylethyl)-5-methyl- (9CI)
Technical Specifications
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.11061 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.11061 Da |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
| SMILES | CC1=CC(=NO1)NC(C)(C)C |
| InChIKey | HNVLZJHZDQYSQR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(tert-Butylamino)-5-methylisoxazole
Property Insights of 3-(tert-Butylamino)-5-methylisoxazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-Butylamino)-5-methylisoxazole. With a topological polar surface area (TPSA) of 38.1 Ų, 3-(tert-Butylamino)-5-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butylamino)-5-methylisoxazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(tert-Butylamino)-5-methylisoxazole?
The CAS number of 3-(tert-Butylamino)-5-methylisoxazole is 13999-34-3.
What is the molecular formula of 3-(tert-Butylamino)-5-methylisoxazole?
The molecular formula of 3-(tert-Butylamino)-5-methylisoxazole is C8H14N2O.
What is the molecular weight of 3-(tert-Butylamino)-5-methylisoxazole?
The molecular weight of 3-(tert-Butylamino)-5-methylisoxazole is 154.11061 g/mol.
Where can I buy 3-(tert-Butylamino)-5-methylisoxazole?
You can request a quote for 3-(tert-Butylamino)-5-methylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(tert-Butylamino)-5-methylisoxazole?
Yes, CoreyChem provides custom synthesis services for 3-(tert-Butylamino)-5-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.