| CAS Number | 1252657-86-5 |
| Catalog Number | AG01BVRC |
| Chemical Name | 5-(1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-4-YL)-1,3-OXAZOLE-4-CARBOXYLIC ACID |
| IUPAC Name | 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18) |
| InChI Key | IKDSOZSAZOWWKW-UHFFFAOYSA-N |
| MDL Number | MFCD30497637 |
| Molecular Formula | C14H20N2O5 |
| Molecular Weight | 296.3190 |
| SMILES | CC(OC(N1CCC(C2=C(C(O)=O)N=CO2)CC1)=O)(C)C |
| Synonyms | 1252657-86-5,
5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid,
5-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid,
SCHEMBL766173,
IKDSOZSAZOWWKW-UHFFFAOYSA-N,
AKOS033995536,
ZINC114543591,
A1-11024,
Z2719320174,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.323g/mol |
| Monoisotopic Mass | 296.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number