| CAS Number | 1268520-01-9 |
| Catalog Number | AG00HRL9(AGN-PC-0WG466) |
| Chemical Name | tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[hydroxy(1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H20N2O4/c1-13(2,3)19-12(17)15-6-4-9(8-15)10(16)11-14-5-7-18-11/h5,7,9-10,16H,4,6,8H2,1-3H3 |
| InChI Key | COOMDGHFOZBHLP-UHFFFAOYSA-N |
| MDL Number | MFCD18632971 |
| Molecular Formula | C13H20N2O4 |
| Molecular Weight | 268.3089 |
| SMILES | O=C(N1CCC(C1)C(c1ncco1)O)OC(C)(C)C |
| Synonyms | 1268520-01-9,
tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate,
MFCD18632971,
ACN-025480,
CS-0039154,
t-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate,
1-Pyrrolidinecarboxylic acid, 3-(hydroxy-2-oxazolylmethyl)-, 1,1-dimethylethyl ester,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.313g/mol |
| Monoisotopic Mass | 268.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number