| CAS Number | 111249-50-4 |
| Catalog Number | AG00HC4N(AGN-PC-0KDUIK) |
| Chemical Name | 3-(3-Methylphenyl)-5-phenyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChI Key | LVOLWXPQHWLZBL-UHFFFAOYSA-N |
| MDL Number | MFCD03884617 |
| Molecular Formula | C15H12N2O |
| Molecular Weight | 236.2686 |
| SMILES | O1C(C2C=CC=CC=2)=NC(C2C=CC=C(C)C=2)=N1 |
| Synonyms | 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole,
5-Phenyl-3-(m-tolyl)-1,2,4-oxadiazole,
111249-50-4,
MFCD03884617,
AC1M3JZ7,
SCHEMBL13427308,
HMS1601A21,
ZINC2887001,
AKOS003656771,
MCULE-7331751320,
3-(3-Methylphenyl)-5-phenyl-1,2,4-oxadiazole, 97%, AldrichCPR,
CID2239223,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.274g/mol |
| Monoisotopic Mass | 236.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number