| CAS Number | 36663-17-9 |
| Catalog Number | AG01DWDR |
| Chemical Name | 2-Methyl-5-(methylamino)-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 2-methyl-5-(methylamino)-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C6H7N3O/c1-4-9-5(3-7)6(8-2)10-4/h8H,1-2H3 |
| InChI Key | SWBQIOCQDWKVTJ-UHFFFAOYSA-N |
| MDL Number | MFCD00522031 |
| Molecular Formula | C6H7N3O |
| Molecular Weight | 137.1393 |
| SMILES | CNC1=C(C#N)N=C(C)O1 |
| Synonyms | 2-methyl-5-(methylamino)-1,3-oxazole-4-carbonitrile,
36663-17-9,
SCHEMBL16075161,
ZINC3109746,
STL382162,
AKOS003624107,
MCULE-2355365233,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.142g/mol |
| Monoisotopic Mass | 137.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number