TL;DR: N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide (CAS 131862-20-9) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-4-carboxamide
Also Known As: N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide, 4-Benzoxazolecarboxamide,N-[2-(dimethylamino)ethyl]-2-phenyl-, N-(2-(Dimethylamino)ethyl)-2-phenylbenzo[d]oxazole-4-carboxamide, N-[2-(dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-4-carboxamide, N-(2-(Dimethylamino)ethyl)-1,10-phenanthroline-2-carboxamide
| Molecular Formula | C18H19N3O2 |
| Molecular Weight | 309.14774 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.14774 Da |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
| SMILES | CN(C)CCNC(=O)C1=C2C(=CC=C1)OC(=N2)C3=CC=CC=C3 |
| InChIKey | DLMVVDUVGYXJMF-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide. With a topological polar surface area (TPSA) of 58.4 Ų, N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide has 1 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 N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide is 131862-20-9.
The molecular formula of N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide is C18H19N3O2.
The molecular weight of N-(2-(Dimethylamino)ethyl)-2-phenyl-4-benzoxazolecarboxamide is 309.14774 g/mol.
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