5-甲基-3-异恶唑甲酰胺
TL;DR: 5-甲基-3-异恶唑甲酰胺 (CAS 3445-52-1) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基-3-异恶唑甲酰胺
5-methyl-1,2-oxazole-3-carboxamide
Also Known As: 5-Methylisoxazole-3-carboxamide, 5-methyl-1,2-oxazole-3-carboxamide, 3-Carbamoyl-5-methylisoxazole, 3-Isoxazolecarboxamide, 5-methyl-, 5-Methyl-3-isoxazolecarboxamide
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 3445-52-1 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)N |
| InChIKey | KBOSIRPMGVGOEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-3-异恶唑甲酰胺 (CAS 3445-52-1), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 5-methyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of 5-甲基-3-异恶唑甲酰胺
Property Insights of 5-甲基-3-异恶唑甲酰胺
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-3-异恶唑甲酰胺. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲基-3-异恶唑甲酰胺. Following Lipinski's Rule of Five, 5-甲基-3-异恶唑甲酰胺 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 5-甲基-3-异恶唑甲酰胺?
The CAS number of 5-甲基-3-异恶唑甲酰胺 is 3445-52-1.
What is the molecular formula of 5-甲基-3-异恶唑甲酰胺?
The molecular formula of 5-甲基-3-异恶唑甲酰胺 is C5H6N2O2.
What is the molecular weight of 5-甲基-3-异恶唑甲酰胺?
The molecular weight of 5-甲基-3-异恶唑甲酰胺 is 126.04 g/mol.
Where can I buy 5-甲基-3-异恶唑甲酰胺?
You can request a quote for 5-甲基-3-异恶唑甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-3-异恶唑甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-3-异恶唑甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.