TL;DR: Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- (CAS 116910-11-3) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7a-methyl-3-propan-2-yl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
Also Known As: (3S-cis)-(+)-2,3-Dihydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(7aH)-one, Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)-, 7a-methyl-3-propan-2-yl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one, (3R,7aS)-7a-methyl-3-propan-2-yl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one, (3R-cis)-(-)-2,3-Dihydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(7aH)-one
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.11028 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.11028 Da |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
| SMILES | CC(C)C1COC2(N1C(=O)C=C2)C |
| InChIKey | JOXQDNAGAGXGOK-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- 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 Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- is 116910-11-3.
The molecular formula of Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- is C10H15NO2.
The molecular weight of Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7a-methyl-3-(1-methylethyl)- is 181.11028 g/mol.
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