TL;DR: 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione (CAS 138473-92-4) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione
Also Known As: NCI60_026107, 4-[(5-methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione, 2-Hydroxy-4-((5-methyl-4-isoxazolyl)imino)-1(4H)-naphthalenone, 4-[(5-Methyl-4-isoxazolyl)amino]-1,2-naphthalenedione, 4-[(5-Methyl-4-isoxazolyl)amino]naphthalene-1,2-dione
| Molecular Formula | C14H10N2O3 |
| Molecular Weight | 254.06914 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06914 Da |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
| SMILES | CC1=C(C=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32 |
| InChIKey | FOOWZVXRYSYDHR-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione. Following Lipinski's Rule of Five, 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione has 1 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 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione is 138473-92-4.
The molecular formula of 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione is C14H10N2O3.
The molecular weight of 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione is 254.06914 g/mol.
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