TL;DR: 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one (CAS 117904-21-9) is a chemical compound with molecular formula C14H10N4O2 and molecular weight 266.08038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-4-(pyrazin-2-yliminomethyl)-1,3-oxazol-5-ol
Also Known As: 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one, 2-phenyl-4-(pyrazin-2-yliminomethyl)-1,3-oxazol-5-ol, 7F-928, 2-phenyl-4-[(pyrazin-2-ylamino)methylidene]-1,3-oxazol-5-one, (4E)-2-phenyl-4-{[(pyrazin-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
| Molecular Formula | C14H10N4O2 |
| Molecular Weight | 266.08038 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08038 Da |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| SMILES | C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC3=NC=CN=C3 |
| InChIKey | IYXTTZNSRSJHPN-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one is 117904-21-9.
The molecular formula of 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one is C14H10N4O2.
The molecular weight of 2-phenyl-4-[(2-pyrazinylamino)methylene]-1,3-oxazol-5(4H)-one is 266.08038 g/mol.
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