TL;DR: (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1212164-26-5) is a chemical compound with molecular formula C20H13N3O3 and molecular weight 343.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-5-(Naphthalen-2-yl)-3-(pyridin-3-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-5-(naphthalen-2-yl)-3-(pyridin-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-5-Naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione
| Molecular Formula | C20H13N3O3 |
| Molecular Weight | 343.0957 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.0957 Da |
| Heavy Atoms | 26 |
| Complexity | 634.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)N3C(=O)[C@H]4[C@@H](C3=O)ON=C4C5=CN=CC=C5 |
| InChIKey | OQXHZOSVLAWZRT-AEFFLSMTSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1212164-26-5.
The molecular formula of (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C20H13N3O3.
The molecular weight of (3aR,6aS)-5-naphthalen-2-yl-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 343.0957 g/mol.
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