| CAS Number | 1186405-12-8 |
| Catalog Number | AG00IWLG(AGN-PC-0WAZC8) |
| Chemical Name | Ethyl 2-[(tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate |
| IUPAC Name | ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate |
| InChI | InChI=1S/C12H15F3N2O5/c1-5-20-8(18)6-7(12(13,14)15)16-9(21-6)17-10(19)22-11(2,3)4/h5H2,1-4H3,(H,16,17,19) |
| InChI Key | JAAIWTFENIJVER-UHFFFAOYSA-N |
| MDL Number | MFCD12827772 |
| Molecular Formula | C12H15F3N2O5 |
| Molecular Weight | 324.2531 |
| SMILES | FC(F)(F)C=1(N=C(NC(=O)OC(C)(C)C)OC=1C(=O)OCC) |
| Synonyms | ethyl 2-[(tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate,
1186405-12-8,
Ethyl 2-((tert-butoxycarbonyl)amino)-4-(trifluoromethyl)oxazole-5-carboxylate,
CTK6F7774,
KS-00001Q1W,
ZX-RL000051,
MFCD12827772,
ZINC40566592,
AKOS005072481,
ED-0252,
RP16556,
PC200171,
AJ-103578,
TR-064658,
ethyltertbutoxycarbonylaminotrifluoromethyloxazolecarboxylate,
ethyl 2-{[(tert-butoxy)carbonyl]amino}-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.256g/mol |
| Monoisotopic Mass | 324.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number