TL;DR: N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 371141-53-6) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(3-(5-isopropylbenzo[d]oxazol-2-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C25H22N2O4 |
| Molecular Weight | 414.15796 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.15796 Da |
| Heavy Atoms | 31 |
| Complexity | 629.0 |
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCCO5 |
| InChIKey | GPWMUJSFOLYNKR-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 371141-53-6.
The molecular formula of N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C25H22N2O4.
The molecular weight of N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 414.15796 g/mol.
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