Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CAS 79778-45-3) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylicacid, 2-[4,5-dihydro-5-oxo-4-(phenylmethylene)-2-oxazolyl]-, 1,1-dimethylethylester, [S-(Z)]- (9CI), 1-Pyrrolidinecarboxylicacid,2-[4,5-dihydro-5-oxo-4-(phenylmethylene)-2-oxazolyl]-,1,1-dimethylethylester,[s-(Z)]-(9ci)
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 79778-45-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1C2=NC(=CC3=CC=CC=C3)C(=O)O2 |
| InChIKey | PSZAWGWLFFKZBT-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CAS 79778-45-3), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 3.3 indicates that Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is 79778-45-3.
What is the molecular formula of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is C19H22N2O4.
What is the molecular weight of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is 342.16 g/mol.
Where can I buy Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(4-benzylidene-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.