![n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide structure](/static/products/109/1090600-05-7.webp)
n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide
TL;DR: n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide (CAS 1090600-05-7) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2-benzoxazol-3-yl)-N-prop-2-enylacetamide
Also Known As: n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide, 2-(1,2-benzoxazol-3-yl)-N-prop-2-enylacetamide
Technical Specifications
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | C=CCNC(=O)CC1=NOC2=CC=CC=C21 |
| InChIKey | SHNALHDPHYMAID-UHFFFAOYSA-N |
Chemical Property Profile of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide
Property Insights of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide. With a topological polar surface area (TPSA) of 55.1 Ų, n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide 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
What is the CAS number of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide?
The CAS number of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide is 1090600-05-7.
What is the molecular formula of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide?
The molecular formula of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide is C12H12N2O2.
What is the molecular weight of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide?
The molecular weight of n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide is 216.08987 g/mol.
Where can I buy n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide?
You can request a quote for n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for n-Allyl-2-(benzo[d]isoxazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.