| CAS Number | 1081115-59-4 |
| Catalog Number | AG01B1AY |
| Chemical Name | 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H13N3O3/c1-7-13-9(6-12)10(17-7)14-4-2-8(3-5-14)11(15)16/h8H,2-5H2,1H3,(H,15,16) |
| InChI Key | SDPFWQCYDIGLMG-UHFFFAOYSA-N |
| MDL Number | MFCD11501633 |
| Molecular Formula | C11H13N3O3 |
| Molecular Weight | 235.2392 |
| SMILES | CC1OC(N2CCC(C(O)=O)CC2)=C(C#N)N=1 |
| Synonyms | 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperidine-4-carboxylic acid,
1081115-59-4,
1-(4-cyano-2-methyloxazol-5-yl)piperidine-4-carboxylic acid,
BB_SC-05930,
BBL031928,
SBB078693,
STL351588,
ZINC19702782,
AKOS005137517,
MCULE-6584914153,
NE25855,
EN300-170706,
Z1809367726,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.243g/mol |
| Monoisotopic Mass | 235.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number