| CAS Number | 1252576-14-9 |
| Catalog Number | AG01DTNH |
| Chemical Name | (S)-4-Benzyl-2-(quinolin-2-yl)-4,5-dihydrooxazole |
| IUPAC Name | 4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole |
| InChI | InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(20-16)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2 |
| InChI Key | DYPJONUSIRRGAX-UHFFFAOYSA-N |
| MDL Number | MFCD31803338 |
| Molecular Formula | C19H16N2O |
| Molecular Weight | 288.3431 |
| SMILES | c1ccc(cc1)C[C@H]1COC(=N1)c1ccc2c(n1)cccc2 |
| Synonyms | 1252576-14-9,
(S)-4-Benzyl-2-(quinolin-2-yl)-4,5-dihydrooxazole,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.35g/mol |
| Monoisotopic Mass | 288.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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