| CAS Number | 851881-59-9 |
| Catalog Number | AG01EOM6(AGN-PC-0UYLHG) |
| Chemical Name | (3R)-1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine |
| IUPAC Name | (4-fluorophenyl)-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone |
| InChI | InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m1/s1 |
| InChI Key | VXQCCZHCFBHTTD-OAHLLOKOSA-N |
| MDL Number | MFCD31692421 |
| Molecular Formula | C20H17F2N3O2 |
| Molecular Weight | 369.3647 |
| SMILES | FC1=CC=C(C(N2C[C@H](C3ON=C(C4=CC=C(F)C=C4)N=3)CCC2)=O)C=C1 |
| Synonyms | (R)-ADX-47273,
SCHEMBL192098,
HY-13058B,
ZINC12568315,
CS-0047681,
851881-59-9,
ADX-47273,
CID11303165,
B1632,
(4-fluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]methanone,
851881-60-2,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.372g/mol |
| Monoisotopic Mass | 369.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number