(3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one
TL;DR: (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one (CAS 122383-35-1) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,7aR)-3-propan-2-yl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
Also Known As: (3S)-3-ISOPROPYL BICYCLIC LACTAM, (3R)-3-Isopropyl bicyclic lactam, (3S,7aR)-3-(propan-2-yl)tetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one, (3S,7aR)-3-propan-2-yl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one, (3S,7aR)-tetrahydro-3-(1-methylethyl)pyrrolo[2,1-b]oxazol-5(6H)-one
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
| SMILES | CC(C)[C@H]1CO[C@H]2N1C(=O)CC2 |
| InChIKey | VYIYATUSPBZBPH-VXNVDRBHSA-N |
Chemical Property Profile of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one
Property Insights of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(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.
Frequently Asked Questions
What is the CAS number of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one?
The CAS number of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one is 122383-35-1.
What is the molecular formula of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one?
The molecular formula of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one is C9H15NO2.
What is the molecular weight of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one?
The molecular weight of (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one is 169.11028 g/mol.
Where can I buy (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one?
You can request a quote for (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one?
Yes, CoreyChem provides custom synthesis services for (3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.