N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide
TL;DR: N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide (CAS 27144-33-8) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-5-methyl-1,2-oxazole-3-carboxamide
Also Known As: N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide, N-(tert-butyl)-5-methylisoxazole-3-carboxamide, N-tert-butyl-5-methyl-1,2-oxazole-3-carboxamide, N-(tert-butyl)(5-methylisoxazol-3-yl)carboxamide
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.51132 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 309.65976 |
Chemical Identifiers
| CAS Number | 27144-33-8 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NC(C)(C)C |
Product Overview
N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide (CAS 27144-33-8), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: N-tert-butyl-5-methyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide
Property Insights of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide
The XLogP value of 1.51132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide 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
Frequently Asked Questions
What is the CAS number of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide?
The CAS number of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide is 27144-33-8.
What is the molecular formula of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide?
The molecular formula of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide is C9H14N2O2.
What is the molecular weight of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide?
The molecular weight of N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide is 182.11 g/mol.
Where can I buy N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide?
You can request a quote for N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-5-methyl-3-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.