| CAS Number | 714273-89-9 |
| Catalog Number | AG00FY08(AGN-PC-034NPE) |
| Chemical Name | ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate |
| IUPAC Name | ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate |
| InChI | InChI=1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6H,5H2,1-4H3 |
| InChI Key | YVBVIJQMJDNVFD-UHFFFAOYSA-N |
| MDL Number | MFCD00105461 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.2310 |
| SMILES | C(C)(C)(C)C1=C(N=CO1)C(=O)OCC |
| Synonyms | ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate,
714273-89-9,
ethyl 5-(tert-butyl)oxazole-4-carboxylate,
SCHEMBL64415,
8595AE,
MFCD00105461,
ZINC43304215,
AKOS010897681,
MG-0714,
NE54507,
ethyl 5-(t-butyl)oxazole-4-carboxylate,
KS-000027R0,
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate, AldrichCPR,
C10H15NO3,
ethyl 5-tert-butyloxazole-4-carboxylate,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.234g/mol |
| Monoisotopic Mass | 197.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number