Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
TL;DR: Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate (CAS 151095-38-4) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzoate
Also Known As: Maybridge1_002126, methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate, methyl 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzoate, methyl 4-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzoate
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
| SMILES | CC1(COC(=N1)C2=CC=C(C=C2)C(=O)OC)C |
| InChIKey | KRRIXCFETJUJHO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
Property Insights of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate. With a topological polar surface area (TPSA) of 47.9 Ų, Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The CAS number of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate is 151095-38-4.
What is the molecular formula of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The molecular formula of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate is C13H15NO3.
What is the molecular weight of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The molecular weight of Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate is 233.1052 g/mol.
Where can I buy Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate?
You can request a quote for Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.