| CAS Number | 1218816-71-7 |
| Catalog Number | AG01EOJN(AGN-PC-0WNNZV) |
| Chemical Name | SK1-IN-1 |
| IUPAC Name | N-[1-[4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-3-hydroxypyrrolidine-2-carboxamide |
| InChI | InChI=1S/C22H30N4O3/c1-14(24-22(28)20-18(27)12-13-23-20)16-7-9-17(10-8-16)21-25-19(29-26-21)11-6-15-4-2-3-5-15/h7-10,14-15,18,20,23,27H,2-6,11-13H2,1H3,(H,24,28) |
| InChI Key | GDJANRNMFHNVOW-UHFFFAOYSA-N |
| MDL Number | MFCD31382196 |
| Molecular Formula | C22H30N4O3 |
| Molecular Weight | 398.4986 |
| SMILES | N1CC[C@H](O)[C@H]1C(N[C@H](C1=CC=C(C2N=C(CCC3CCCC3)ON=2)C=C1)C)=O |
| Synonyms | |
| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.507g/mol |
| Monoisotopic Mass | 398.232g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number