| CAS Number | 1217638-80-6 |
| Catalog Number | AG009B8Y |
| Chemical Name | (2R,4S)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYLOXAZOLIDIN-5-ONE |
| IUPAC Name | (2R,4S)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one |
| InChI | InChI=1S/C19H19NO3/c1-3-19(2)18(22)23-17(15-12-8-5-9-13-15)20(19)16(21)14-10-6-4-7-11-14/h4-13,17H,3H2,1-2H3/t17-,19+/m1/s1 |
| InChI Key | DYWWDZQRZYAPHQ-MJGOQNOKSA-N |
| MDL Number | MFCD07784040 |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.3591 |
| SMILES | O1C([C@](C)(CC)N(C(C2C=CC=CC=2)=O)[C@H]1C1C=CC=CC=1)=O |
| Synonyms | (2R,4S)-3-benzoyl-4-ethyl-4-methyl-2-phenyloxazolidin-5-one,
1217638-80-6,
1279025-92-1,
ZINC12648291,
AKOS027328107,
AS-36339,
AX8035659,
DB-083103,
A-2488,
MFCD07784040,
2,4,5-Tribromo-1-(p-chlorobenzoyl)-midazole,
15287-32-8,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.365g/mol |
| Monoisotopic Mass | 309.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number