TL;DR: 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one (CAS 158512-24-4) is a chemical compound with molecular formula C24H27NO3 and molecular weight 377.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one
Also Known As: 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one, 2-Benzyl-1-(2,2-dimethyl-8,8a-dihydro-3a,H-indeno[1,2-d]oxazol-3yl)-3-oxiranyl-propan-1-one, N-[N,O-ISOPROPYLIDENE-(2R)-HYDROXY INDAN-(1S)-YL]-(2R)-BENZYL-(4S,5)-EPOXY PENTANAMIDE
| Molecular Formula | C24H27NO3 |
| Molecular Weight | 377.1991 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1991 Da |
| Heavy Atoms | 28 |
| Complexity | 584.0 |
| SMILES | CC1(N(C2C(O1)CC3=CC=CC=C23)C(=O)C(CC4CO4)CC5=CC=CC=C5)C |
| InChIKey | WLQFCUPIQRHKFS-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one is 158512-24-4.
The molecular formula of 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one is C24H27NO3.
The molecular weight of 2-benzyl-1-(2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)-3-(oxiran-2-yl)propan-1-one is 377.1991 g/mol.
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