| CAS Number | 882610-77-7 |
| Catalog Number | AG019KA2(AGN-PC-00U1BD) |
| Chemical Name | N-(5-methyl-1,2-oxazol-3-yl)-3-oxobutanamide |
| IUPAC Name | N-(5-methyl-1,2-oxazol-3-yl)-3-oxobutanamide |
| InChI | InChI=1S/C8H10N2O3/c1-5(11)3-8(12)9-7-4-6(2)13-10-7/h4H,3H2,1-2H3,(H,9,10,12) |
| InChI Key | LHSSBYKOOGOGOY-UHFFFAOYSA-N |
| MDL Number | MFCD08691223 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC(CC(NC1=NOC(C)=C1)=O)=O |
| Synonyms | N-(5-methyl-1,2-oxazol-3-yl)-3-oxobutanamide,
882610-77-7,
N-(5-methylisoxazol-3-yl)-3-oxobutanamide,
AC1Q1K3F,
CTK7G8315,
ZINC9256941,
AKOS009104376,
MCULE-5383450325,
NE38834,
N-(5-Methyl-3-isoxazolyl)-3-oxobutanamide,
EN300-26142,
N-(5-methylisoxazol-3-yl)-3-oxobutanamide, AldrichCPR,
Z221430018,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number