TL;DR: (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one (CAS 132959-39-8) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
Also Known As: (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one, J2.947.500H, (3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one, (3R-CIS)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[ 2,1-B]OXAZOL-5(6H)-ONE, Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3,7a-diphenyl-, (3R,7aR)-
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.12592 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.12592 Da |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
| SMILES | C1C[C@]2(N(C1=O)[C@@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | DKQMLBIEOBOMDP-FUHWJXTLSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is 132959-39-8.
The molecular formula of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is C18H17NO2.
The molecular weight of (3R,7AR)-3,7a-diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is 279.12592 g/mol.
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