TL;DR: 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol (CAS 1015845-72-3) is a chemical compound with molecular formula C20H14F3N3O4 and molecular weight 417.09363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-2-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Also Known As: 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol, (6E)-3-methoxy-6-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one, 3-methoxy-6-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one, 5-Methoxy-2-{4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-1,2-oxazol-5-yl}phenol
| Molecular Formula | C20H14F3N3O4 |
| Molecular Weight | 417.09363 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09363 Da |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
| SMILES | COC1=CC(=C(C=C1)C2=C(C(=NO2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)O |
| InChIKey | CJCLIWVXZRYQOF-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol. Following Lipinski's Rule of Five, 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is 1015845-72-3.
The molecular formula of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is C20H14F3N3O4.
The molecular weight of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is 417.09363 g/mol.
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