| CAS Number | 1400191-51-6 |
| Catalog Number | AG01F9JI(AGN-PC-3H49CM) |
| Chemical Name | 3-(3-Methylpyridin-2-yl)-5-phenyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(3-methylpyridin-2-yl)-5-phenyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C14H11N3O/c1-10-6-5-9-15-12(10)13-16-14(18-17-13)11-7-3-2-4-8-11/h2-9H,1H3 |
| InChI Key | ZHKWMFUDVLEAHG-UHFFFAOYSA-N |
| MDL Number | MFCD20265320 |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.2566 |
| SMILES | Cc1cccnc1c1noc(n1)c1ccccc1 |
| Synonyms | 3-(3-Methyl-2-pyridyl)-5-phenyl-1,2,4-oxadiazole,
1400191-51-6,
MFCD20265320,
3-(3-Methylpyridin-2-yl)-5-phenyl-1,2,4-oxadiazole,
ZINC85999898,
AKOS027440142,
3-(3-Methyl-2-pyridyl)-5-phenyl-1,2,4-oxadiazole, 97%, AldrichCPR,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.262g/mol |
| Monoisotopic Mass | 237.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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