3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
TL;DR: 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- (CAS 139297-39-5) is a chemical compound with molecular formula C13H13FN2O2 and molecular weight 248.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,6-dimethylphenyl)-5-(fluoromethyl)-1,2-oxazole-3-carboxamide
Also Known As: 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-, N-(2,6-Dimethylphenyl)-5-(fluoromethyl)-3-isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-1,2-oxazole-3-carboxamide, 5-(Fluoromethyl)-N-(2,6-dimethylphenyl)isoxazole-3-carboxamide, BRN 5853003
Technical Specifications
| Molecular Formula | C13H13FN2O2 |
| Molecular Weight | 248.0961 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0961 Da |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CF |
| InChIKey | FOBVPHBKEWUUDT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
Property Insights of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- has 1 hydrogen bond donor(s) and 4 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-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-?
The CAS number of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- is 139297-39-5.
What is the molecular formula of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-?
The molecular formula of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- is C13H13FN2O2.
What is the molecular weight of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-?
The molecular weight of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- is 248.0961 g/mol.
Where can I buy 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-?
You can request a quote for 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(fluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.