| CAS Number | 915922-84-8 |
| Catalog Number | AG00GVLF(AGN-PC-0WB4XD) |
| Chemical Name | 3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]benzenamine |
| IUPAC Name | 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline |
| InChI | InChI=1S/C15H13N3O/c1-10-4-2-5-11(8-10)14-17-15(19-18-14)12-6-3-7-13(16)9-12/h2-9H,16H2,1H3 |
| InChI Key | FPARUHCFXJLAHI-UHFFFAOYSA-N |
| MDL Number | MFCD08691841 |
| Molecular Formula | C15H13N3O |
| Molecular Weight | 251.2832 |
| SMILES | Cc1cccc(c1)c1noc(n1)c1cccc(c1)N |
| Synonyms | 915922-84-8,
3-[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ANILINE,
3-(3-(m-Tolyl)-1,2,4-oxadiazol-5-yl)aniline,
CTK5H0057,
PKCBB_00079,
DTXSID10589715,
ZINC8701876,
ZX-CM017695,
MFCD08691841,
AKOS004121197,
AJ-58567,
Y-4483,
3-[3- -1,2,4-oxadiazol-5-yl]aniline,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.289g/mol |
| Monoisotopic Mass | 251.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number