| CAS Number | 1644602-71-0 |
| Catalog Number | AG00IZRB(AGN-PC-0WB0NB) |
| Chemical Name | tert-butyl N-{1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl}carbamate |
| IUPAC Name | tert-butyl N-[1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl]carbamate |
| InChI | InChI=1S/C19H27N3O4/c1-19(2,3)26-17(23)20-14-9-10-21(11-14)12-16-13-22(18(24)25-16)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,20,23) |
| InChI Key | YELVIGDJVYDDQK-UHFFFAOYSA-N |
| MDL Number | MFCD28347973 |
| Molecular Formula | C19H27N3O4 |
| Molecular Weight | 361.4354 |
| SMILES | O=C2(OC(CN1(CC(NC(=O)OC(C)(C)C)CC1))CN2C3(=CC=CC=C3)) |
| Synonyms | tert-butyl N-{1-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl}carbamate,
1644602-71-0,
AKOS025393388,
KE-0869,
KS-000027D2,
OR311133,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.442g/mol |
| Monoisotopic Mass | 361.2g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number