| CAS Number | 1258639-40-5 |
| Catalog Number | AG019W6W |
| Chemical Name | 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C12H13N3O/c1-8-14-15-12(16-8)11-6-9-4-2-3-5-10(9)7-13-11/h2-5,11,13H,6-7H2,1H3 |
| InChI Key | OEICBVMYDPSCBA-UHFFFAOYSA-N |
| MDL Number | MFCD17976967 |
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.2511 |
| SMILES | CC1OC(C2NCC3=C(C=CC=C3)C2)=NN=1 |
| Synonyms | 3-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline,
1258639-40-5,
2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3,4-oxadiazole,
AC1Q2PY5,
AKOS034485456,
MCULE-8954882468,
NE22603,
EN300-50824,
Z607899266,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.256g/mol |
| Monoisotopic Mass | 215.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number