TL;DR: (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one (CAS 143140-06-1) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,7aR)-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
Also Known As: (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one, (3S,7aR)-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b]oxazol-5(7aH)-one, (3S,7aR)-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one, (3S-CIS)-(+)-2,3-DIHYDRO-7A-METHYL-3-PHENYLPYRROLO[2,1-B ]OXAZOL-5(7A H)-ONE, - -2,3-DIHYDRO-7A-METHYL-3-PHENYLPYRROLO[2,1-B]OXAZOL-5 -ONE
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.09464 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.09464 Da |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
| SMILES | C[C@@]12C=CC(=O)N1[C@H](CO2)C3=CC=CC=C3 |
| InChIKey | UFQSRYWJCHFOQX-DGCLKSJQSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one. With a topological polar surface area (TPSA) of 29.5 Ų, (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-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 (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one is 143140-06-1.
The molecular formula of (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one is C13H13NO2.
The molecular weight of (3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one is 215.09464 g/mol.
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