| CAS Number | 1050909-91-5 |
| Catalog Number | AG019LO5 |
| Chemical Name | 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H13N3O4/c15-8-10-13(17-5-3-9(4-6-17)14(18)19)21-12(16-10)11-2-1-7-20-11/h1-2,7,9H,3-6H2,(H,18,19) |
| InChI Key | HSVVSOCEWJGOEO-UHFFFAOYSA-N |
| MDL Number | MFCD09971590 |
| Molecular Formula | C14H13N3O4 |
| Molecular Weight | 287.2707 |
| SMILES | OC(C1CCN(C2=C(C#N)N=C(C3OC=CC=3)O2)CC1)=O |
| Synonyms | 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid,
1-[4-cyano-2-(2-furyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid,
1050909-91-5,
EN300-31933,
AC1Q74M6,
CTK7C9211,
ZINC13013693,
AKOS034223166,
MCULE-9731871689,
NE28855,
Z355423176,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.275g/mol |
| Monoisotopic Mass | 287.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number