| CAS Number | 1050910-59-2 |
| Catalog Number | AG019MBF |
| Chemical Name | 2-cyclopropyl-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C11H14N4O/c12-7-9-11(15-5-3-13-4-6-15)16-10(14-9)8-1-2-8/h8,13H,1-6H2 |
| InChI Key | JLLXXMHLWVMUBP-UHFFFAOYSA-N |
| MDL Number | MFCD10686734 |
| Molecular Formula | C11H14N4O |
| Molecular Weight | 218.2551 |
| SMILES | N#CC1=C(N2CCNCC2)OC(C2CC2)=N1 |
| Synonyms | 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile,
EN300-35667,
2-CYCLOPROPYL-5-(PIPERAZIN-1-YL)-1,3-OXAZOLE-4-CARBONITRILE,
1050910-59-2,
AC1Q4R1F,
CTK7C9212,
ZINC20282861,
AKOS008118689,
MCULE-5931210608,
J3.617.244D,
2-Cyclopropyl-5-piperazinooxazole-4-carbonitrile,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.26g/mol |
| Monoisotopic Mass | 218.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number