| CAS Number | 1965304-98-6 |
| Catalog Number | AG01EUGQ(AGN-PC-3H47J2) |
| Chemical Name | 1,3-Bis[3-(3-tolyl)-1,2,4-oxadiazolyl]benzene |
| IUPAC Name | 5-(3-methylphenyl)-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C24H18N4O2/c1-15-6-3-10-19(12-15)23-25-21(27-29-23)17-8-5-9-18(14-17)22-26-24(30-28-22)20-11-4-7-16(2)13-20/h3-14H,1-2H3 |
| InChI Key | NXPSQCQOXXITDN-UHFFFAOYSA-N |
| MDL Number | MFCD28166194 |
| Molecular Formula | C24H18N4O2 |
| Molecular Weight | 394.4253 |
| SMILES | C1(C2N=C(C3=CC(C)=CC=C3)ON=2)C=CC=C(C2N=C(C3C=CC=C(C)C=3)ON=2)C=1 |
| Synonyms | 1,3-Bis[3-(3-tolyl)-1,2,4-oxadiazolyl]benzene,
1965304-98-6,
ZINC219037378,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.434g/mol |
| Monoisotopic Mass | 394.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number