N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide
TL;DR: N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide (CAS 81022-87-9) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
Also Known As: N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide, N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide, N-benzyl-3,5-dimethylisoxazole-4-carboxamide, N-benzyl-3,5-dimethyl-isoxazole-4-carboxamide
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.22144 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 497.97067 |
Chemical Identifiers
| CAS Number | 81022-87-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide (CAS 81022-87-9), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide
Property Insights of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide
The XLogP value of 2.22144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,5-dimethyl-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-benzyl-3,5-dimethyl-4-isoxazolecarboxamide?
The CAS number of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide is 81022-87-9.
What is the molecular formula of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide?
The molecular formula of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide is C13H14N2O2.
What is the molecular weight of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide?
The molecular weight of N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide is 230.11 g/mol.
Where can I buy N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide?
You can request a quote for N-benzyl-3,5-dimethyl-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-benzyl-3,5-dimethyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,5-dimethyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.