N-benzyl-5-methylisoxazole-3-carboxamide
TL;DR: N-benzyl-5-methylisoxazole-3-carboxamide (CAS 27144-34-9) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-methyl-1,2-oxazole-3-carboxamide
Also Known As: ChemDiv2_005884, N-benzyl-5-methylisoxazole-3-carboxamide, N-benzyl-5-methyl-isoxazole-3-carboxamide, IDI1_004599, N-benzyl-5-methyl-1,2-oxazole-3-carboxamide
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.91302 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 476.7738 |
Chemical Identifiers
| CAS Number | 27144-34-9 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-5-methylisoxazole-3-carboxamide (CAS 27144-34-9), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: N-benzyl-5-methyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-benzyl-5-methylisoxazole-3-carboxamide
Property Insights of N-benzyl-5-methylisoxazole-3-carboxamide
The XLogP value of 1.91302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-methylisoxazole-3-carboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-benzyl-5-methylisoxazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-methylisoxazole-3-carboxamide 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-5-methylisoxazole-3-carboxamide?
The CAS number of N-benzyl-5-methylisoxazole-3-carboxamide is 27144-34-9.
What is the molecular formula of N-benzyl-5-methylisoxazole-3-carboxamide?
The molecular formula of N-benzyl-5-methylisoxazole-3-carboxamide is C12H12N2O2.
What is the molecular weight of N-benzyl-5-methylisoxazole-3-carboxamide?
The molecular weight of N-benzyl-5-methylisoxazole-3-carboxamide is 216.09 g/mol.
Where can I buy N-benzyl-5-methylisoxazole-3-carboxamide?
You can request a quote for N-benzyl-5-methylisoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-methylisoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-methylisoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.