TL;DR: Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate (CAS 151271-53-3) is a chemical compound with molecular formula C22H14N2O5 and molecular weight 386.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
Also Known As: UK 1, UK 1, UK-1, UK1, methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate, Methyl 2'-(2-hydroxyphenyl)-(2,4'-bibenzoxazole)-4-carboxylate, methyl 2'-(2-hydroxyphenyl)-[2,4'-bibenzo[d]oxazole]-4-carboxylate
| Molecular Formula | C22H14N2O5 |
| Molecular Weight | 386.09027 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.09027 Da |
| Heavy Atoms | 29 |
| Complexity | 604.0 |
| SMILES | COC(=O)C1=C2C(=CC=C1)OC(=N2)C3=C4C(=CC=C3)OC(=N4)C5=CC=CC=C5O |
| InChIKey | NGKIDJMAXLRJRL-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is 151271-53-3.
The molecular formula of Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is C22H14N2O5.
The molecular weight of Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is 386.09027 g/mol.
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