1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
TL;DR: 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one (CAS 92338-74-4) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
Also Known As: Compound 2-5410-4A, 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one, 6-(piperidin-4-yloxy)-2H-isoquinolin-1-one, 2-Pyrrolidinone, 1-(5-(1,1-dimethylethyl)-3-isoxazolyl)-3-methyl-, 1-(5-(1,1-Dimethylethyl)-3-isoxazolyl)-3-methyl-2-pyrrolidinone
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 92338-74-4 |
|---|---|
| SMILES | CC1CCN(C1=O)C2=NOC(=C2)C(C)(C)C |
| InChIKey | DLQYQOFFVOWSEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one (CAS 92338-74-4), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one.
Chemical Property Profile of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
Property Insights of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one. With a topological polar surface area (TPSA) of 46.3 Ų, 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one?
The CAS number of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one is 92338-74-4.
What is the molecular formula of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one?
The molecular formula of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one is C12H18N2O2.
What is the molecular weight of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one?
The molecular weight of 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one is 222.14 g/mol.
Where can I buy 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one?
You can request a quote for 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-tert-Butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.