TL;DR: (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one (CAS 1164539-36-9) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one
Also Known As: BIM-0042394.P001, AN-512/13502001, (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one, (4Z)-4-[(dimethylamino)methylidene]-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5(4H)-one, (Z)-4-((dimethylamino)methylene)-2-((m-tolyloxy)methyl)oxazol-5(4H)-one
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.1161 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CC1=CC(=CC=C1)OCC2=N/C(=C\N(C)C)/C(=O)O2 |
| InChIKey | FAPKYCTYKKQKIG-WQLSENKSSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 51.1 Ų, (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one is 1164539-36-9.
The molecular formula of (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one is C14H16N2O3.
The molecular weight of (4Z)-4-(dimethylaminomethylidene)-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-one is 260.1161 g/mol.
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