2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
TL;DR: 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide (CAS 100695-73-6) is a chemical compound with molecular formula C21H20N2O2 and molecular weight 332.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
Also Known As: 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide, 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)pent-4-ynamide, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynimidic acid
Technical Specifications
| Molecular Formula | C21H20N2O2 |
| Molecular Weight | 332.15247 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.15247 Da |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
| SMILES | CC(C)(C1=CC=CC=C1)NC(=O)C(CC#C)C2=NOC3=CC=CC=C32 |
| InChIKey | GUZDJCJUFYXYTC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
Property Insights of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
The XLogP value of 3.7 indicates that 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide 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 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide?
The CAS number of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide is 100695-73-6.
What is the molecular formula of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide?
The molecular formula of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide is C21H20N2O2.
What is the molecular weight of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide?
The molecular weight of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide is 332.15247 g/mol.
Where can I buy 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide?
You can request a quote for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide?
Yes, CoreyChem provides custom synthesis services for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.