| CAS Number | 1158736-05-0 |
| Catalog Number | AG00J25D(AGN-PC-0WB5GH) |
| Chemical Name | 5-(Chloromethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide |
| IUPAC Name | 5-(chloromethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide |
| InChI | InChI=1S/C5H6ClN3O2/c1-7-5(10)4-8-3(2-6)11-9-4/h2H2,1H3,(H,7,10) |
| InChI Key | WUWBDOPJHVZPAA-UHFFFAOYSA-N |
| MDL Number | MFCD12198497 |
| Molecular Formula | C5H6ClN3O2 |
| Molecular Weight | 175.5730 |
| SMILES | C1(C(NC)=O)=NOC(CCl)=N1 |
| Synonyms | 5-(CHLOROMETHYL)-N-METHYL-1,2,4-OXADIAZOLE-3-CARBOXAMIDE,
1158736-05-0,
DTXSID30657642,
ZX-CM008058,
FCH923597,
MFCD12198497,
ZINC33414684,
AKOS006345324,
AJ-86027,
Y-7180,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.572g/mol |
| Monoisotopic Mass | 175.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number