| CAS Number | 1258650-75-7 |
| Catalog Number | AG019W6X |
| Chemical Name | 2-Ethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C13H15N3O/c1-2-12-15-16-13(17-12)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,2,7-8H2,1H3 |
| InChI Key | WGWLZUXULQNFCP-UHFFFAOYSA-N |
| MDL Number | MFCD17976968 |
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.2777 |
| SMILES | CCC1OC(C2NCC3=C(C=CC=C3)C2)=NN=1 |
| Synonyms | 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline,
1258650-75-7,
2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole,
AC1Q2U81,
AKOS034485457,
MCULE-7769197061,
NE48011,
EN300-50825,
Z607899268,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.283g/mol |
| Monoisotopic Mass | 229.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number