| CAS Number | 1965304-89-5 |
| Catalog Number | AG01EUGN(AGN-PC-3H47IP) |
| Chemical Name | 1,3-Bis[(3-(3-methyl-2-pyridin-2-yl)-1,2,4-oxadiazol)-5-yl]benzene |
| IUPAC Name | 3-(3-methylpyridin-2-yl)-5-[3-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C22H16N6O2/c1-13-6-4-10-23-17(13)19-25-21(29-27-19)15-8-3-9-16(12-15)22-26-20(28-30-22)18-14(2)7-5-11-24-18/h3-12H,1-2H3 |
| InChI Key | HGQUVKUXAVMIFB-UHFFFAOYSA-N |
| MDL Number | MFCD28166195 |
| Molecular Formula | C22H16N6O2 |
| Molecular Weight | 396.4014 |
| SMILES | C1(C2ON=C(C3C(C)=CC=CN=3)N=2)C=CC=C(C2ON=C(C3C(C)=CC=CN=3)N=2)C=1 |
| Synonyms | 1,3-Bis[(3-(3-methyl-2-pyridin-2-yl)-1,2,4-oxadiazol)-5-yl]benzene,
1965304-89-5,
ZINC219037483,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.41g/mol |
| Monoisotopic Mass | 396.133g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number