TL;DR: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (CAS 1198064-35-5) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
Also Known As: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate|4-Isoxazolecarboxylic acid, 3-methyl-5-(1-methylethyl)-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester|Z87997640
| Molecular Formula | C22H22N4O4 |
| Molecular Weight | 406.1641 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1641 Da |
| Heavy Atoms | 30 |
| Complexity | 598.0 |
| SMILES | CC1=NOC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(C)C |
| InChIKey | ONTOAASZBRNZQL-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-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 [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is 1198064-35-5.
The molecular formula of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is C22H22N4O4.
The molecular weight of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is 406.1641 g/mol.
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