TL;DR: ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate (CAS 132629-37-9) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate
Also Known As: ethyl 2-styryl-1,3-oxazole-4-carboxylate, ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate, ethyl 2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate, (E)-ethyl 2-styryloxazole-4-carboxylate, 4-Ethoxycarbonyl-2-(trans-styryl)oxazole
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| SMILES | CCOC(=O)C1=COC(=N1)/C=C/C2=CC=CC=C2 |
| InChIKey | LKUGERMRWPZXRN-CMDGGOBGSA-N |
The XLogP value of 3.2 indicates that ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate is 132629-37-9.
The molecular formula of ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate is C14H13NO3.
The molecular weight of ethyl 2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxylate is 243.08954 g/mol.
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