TL;DR: 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide (CAS 1005580-77-7) is a chemical compound with molecular formula C23H24N6O4 and molecular weight 448.1859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide
Also Known As: 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide, 1-[(2,4-DIMETHYLPHENOXY)METHYL]-N-(7-MORPHOLINO-2,1,3-BENZOXADIAZOL-4-YL)-1H-PYRAZOLE-3-CARBOXAMIDE, 1-[(2,4-dimethylphenoxy)methyl]-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-1H-pyrazole-3-carboxamide
| Molecular Formula | C23H24N6O4 |
| Molecular Weight | 448.1859 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.1859 Da |
| Heavy Atoms | 33 |
| Complexity | 665.0 |
| SMILES | CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=C(C4=NON=C34)N5CCOCC5)C |
| InChIKey | ZSXUQMKVDGDOIR-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide is 1005580-77-7.
The molecular formula of 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide is C23H24N6O4.
The molecular weight of 1-[(2,4-dimethylphenoxy)methyl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-3-carboxamide is 448.1859 g/mol.
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