| CAS Number | 1965304-96-4 |
| Catalog Number | AG01EUGP(AGN-PC-3H47J1) |
| Chemical Name | 1,3-Bis ((3-(2-tolyl)-1,2,4-oxadiazol)-5-yl)benzene |
| IUPAC Name | 3-(2-methylphenyl)-5-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C24H18N4O2/c1-15-8-3-5-12-19(15)21-25-23(29-27-21)17-10-7-11-18(14-17)24-26-22(28-30-24)20-13-6-4-9-16(20)2/h3-14H,1-2H3 |
| InChI Key | UYAOCZOXQBLOKF-UHFFFAOYSA-N |
| MDL Number | MFCD28166234 |
| Molecular Formula | C24H18N4O2 |
| Molecular Weight | 394.4253 |
| SMILES | C1(C2ON=C(C3C=CC=CC=3C)N=2)C=CC=C(C2ON=C(C3C=CC=CC=3C)N=2)C=1 |
| Synonyms | 1,3-Bis ((3-(2-tolyl)-1,2,4-oxadiazol)-5-yl)benzene,
1965304-96-4,
ZINC219040362,
1,3-Bis-((3-(2-tolyl)-1,2,4-oxadiazol)-5-yl)benzene, AldrichCPR,
|
| 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