TL;DR: 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- (CAS 144485-87-0) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)-, 2,6-Dimethyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone, 2,6-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4(3h)-one, 2,6-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one, 2,6-Dimethyl-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one
| Molecular Formula | C14H13N3O2 |
| Molecular Weight | 255.10077 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.10077 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=NO3)C)C |
| InChIKey | DBJKQJYMHQIADO-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- is 144485-87-0.
The molecular formula of 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- is C14H13N3O2.
The molecular weight of 4(3H)-Quinazolinone, 2,6-dimethyl-3-(3-methyl-5-isoxazolyl)- is 255.10077 g/mol.
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