N-isopropyl-5-methyl-4-isoxazolecarboxamide
TL;DR: N-isopropyl-5-methyl-4-isoxazolecarboxamide (CAS 478047-70-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
Also Known As: N-isopropyl-5-methyl-4-isoxazolecarboxamide, 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide, N-isopropyl-5-methylisoxazole-4-carboxamide, 5-methyl-N-(propan-2-yl)-1,2-oxazole-4-carboxamide, N-isopropyl-5-methyl-isoxazole-4-carboxamide
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.12122 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 278.34015 |
Chemical Identifiers
| CAS Number | 478047-70-0 |
|---|---|
| SMILES | CC1=C(C=NO1)C(=O)NC(C)C |
Product Overview
N-isopropyl-5-methyl-4-isoxazolecarboxamide (CAS 478047-70-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-isopropyl-5-methyl-4-isoxazolecarboxamide
Property Insights of N-isopropyl-5-methyl-4-isoxazolecarboxamide
The XLogP value of 1.12122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-5-methyl-4-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-isopropyl-5-methyl-4-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopropyl-5-methyl-4-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-isopropyl-5-methyl-4-isoxazolecarboxamide?
The CAS number of N-isopropyl-5-methyl-4-isoxazolecarboxamide is 478047-70-0.
What is the molecular formula of N-isopropyl-5-methyl-4-isoxazolecarboxamide?
The molecular formula of N-isopropyl-5-methyl-4-isoxazolecarboxamide is C8H12N2O2.
What is the molecular weight of N-isopropyl-5-methyl-4-isoxazolecarboxamide?
The molecular weight of N-isopropyl-5-methyl-4-isoxazolecarboxamide is 168.09 g/mol.
Where can I buy N-isopropyl-5-methyl-4-isoxazolecarboxamide?
You can request a quote for N-isopropyl-5-methyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-5-methyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-5-methyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.