| CAS Number | 1090401-36-7 |
| Catalog Number | AG019SDE |
| Chemical Name | Methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate |
| InChI | InChI=1S/C14H16N2O3/c1-18-13(17)10-6-8-16(9-7-10)14-15-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3 |
| InChI Key | MKRVWAQMMNDHCT-UHFFFAOYSA-N |
| MDL Number | MFCD10649788 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | COC(C1CCN(C2OC3=C(C=CC=C3)N=2)CC1)=O |
| Synonyms | methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate,
1090401-36-7,
ZINC13014928,
AKOS008965728,
MCULE-5760571680,
NE27366,
EN300-93217,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.293g/mol |
| Monoisotopic Mass | 260.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number