(3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate
TL;DR: (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate (CAS 1172804-64-6) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyl-1,2-oxazol-5-yl)methyl 4-pyrazol-1-ylbenzoate
Also Known As: (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate, (3-Methyl-1,2-oxazol-5-yl)methyl 4-(1H-pyrazol-1-yl)benzoate
Technical Specifications
| Molecular Formula | C15H13N3O3 |
| Molecular Weight | 283.0957 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.0957 Da |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
| SMILES | CC1=NOC(=C1)COC(=O)C2=CC=C(C=C2)N3C=CC=N3 |
| InChIKey | SXMFHVXRWHJNMJ-UHFFFAOYSA-N |
Chemical Property Profile of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate
Property Insights of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate. Following Lipinski's Rule of Five, (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate has 0 hydrogen bond donor(s) and 5 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-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate?
The CAS number of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate is 1172804-64-6.
What is the molecular formula of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate?
The molecular formula of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate is C15H13N3O3.
What is the molecular weight of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate?
The molecular weight of (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate is 283.0957 g/mol.
Where can I buy (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate?
You can request a quote for (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for (3-Methyl-5-isoxazolyl)methyl 4-(1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.