| CAS Number | 1016783-13-3 |
| Catalog Number | AG01AAFY |
| Chemical Name | 5-(2,3-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H11N3O3/c1-14-7-5-3-4-6(8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13) |
| InChI Key | MUHOWTKEFHYBKI-UHFFFAOYSA-N |
| MDL Number | MFCD09933173 |
| Molecular Formula | C10H11N3O3 |
| Molecular Weight | 221.2126 |
| SMILES | COC1=C(OC)C(C2OC(N)=NN=2)=CC=C1 |
| Synonyms | 5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine,
1016783-13-3,
AC1Q46EI,
DTXSID00640783,
AOD100710,
ZINC19437107,
AKOS000175240,
AKOS008105874,
MCULE-8520467799,
NE30299,
EN300-68475,
F2145-0170,
Z1263602425,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.216g/mol |
| Monoisotopic Mass | 221.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number