TL;DR: (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate (CAS 1130-23-0) is a chemical compound with molecular formula C17H13F3N2O3 and molecular weight 350.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,3-benzoxazol-2-yl-[2-(trifluoromethyl)phenyl]methyl] N-methylcarbamate
Also Known As: KST-1A9874, 1,3-benzoxazol-2-yl[2-(trifluoromethyl)phenyl]methyl methylcarbamate, (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate, 2-Benzoxazolemethanol, a-[2-(trifluoromethyl)phenyl]-,methylcarbamate (ester) (9CI), [1,3-benzoxazol-2-yl-[2-(trifluoromethyl)phenyl]methyl] N-methylcarbamate
| Molecular Formula | C17H13F3N2O3 |
| Molecular Weight | 350.08783 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.08783 Da |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
| SMILES | CNC(=O)OC(C1=CC=CC=C1C(F)(F)F)C2=NC3=CC=CC=C3O2 |
| InChIKey | ORMIJQGINPPVBA-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate 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 (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate is 1130-23-0.
The molecular formula of (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate is C17H13F3N2O3.
The molecular weight of (1,3-Benzoxazol-2-yl)(2-(trifluoromethyl)phenyl]methyl) N-methylcarbamate is 350.08783 g/mol.
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