Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%,≥99%ee for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C2C(OC(=N2)C3=NC(=CC=C3)C4=NC(C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
|---|---|
| IUPAC Name | (4R,5R)-2-[6-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole |
| InChIKey | SMYDLHVQRYQCDL-XEXPGFJZSA-N |
| INCHI | 1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32-,33-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)[C@@H]2[C@H](OC(=N2)C3=NC(=CC=C3)C4=N[C@@H]([C@H](O4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
| PubChem CID | 11226191 |
| Molecular Weight | 521.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Pyridines and derivatives Benzene and substituted derivatives Oxazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Monocyclic benzene moiety - Pyridine - Benzenoid - Oxazoline - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Molecular Weight | 521.600 g/mol |
|---|---|
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 521.21 Da |
| Monoisotopic Mass | 521.21 Da |
| Topological Polar Surface Area | 56.100 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 809.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |