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≥97% 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 | C1CCC(CC1)(C2=NC(CO2)CC3=CC=CC=C3)C4=NC(CO4)CC5=CC=CC=C5 |
|---|---|
| IUPAC Name | (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole |
| InChIKey | JPJXGGLYDTXDOC-GOTSBHOMSA-N |
| INCHI | 1S/C26H30N2O2/c1-4-10-20(11-5-1)16-22-18-29-24(27-22)26(14-8-3-9-15-26)25-28-23(19-30-25)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m0/s1 |
| Isomeric SMILES | C1CCC(CC1)(C2=N[C@H](CO2)CC3=CC=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5 |
| PubChem CID | 24746422 |
| Molecular Weight | 402.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Oxazolines Imidoesters 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 | Monocyclic benzene moiety - Oxazoline - Imido ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| Boil Point(°C) | 536.3±33.0 °C |
|---|---|
| Molecular Weight | 402.500 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 402.231 Da |
| Monoisotopic Mass | 402.231 Da |
| Topological Polar Surface Area | 43.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 577.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |