| CAS Number | 2031259-34-2 |
| Catalog Number | AG01B768 |
| Chemical Name | 1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[2.1.1]hexane |
| IUPAC Name | 2-(2-azabicyclo[2.1.1]hexan-1-yl)-5-methyl-1,3,4-oxadiazole |
| InChI | InChI=1S/C8H11N3O/c1-5-10-11-7(12-5)8-2-6(3-8)4-9-8/h6,9H,2-4H2,1H3 |
| InChI Key | NOAWNIBBMPGQEN-UHFFFAOYSA-N |
| MDL Number | MFCD30345004 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CC1=NN=C(C2(C3)NCC3C2)O1 |
| Synonyms | 1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[2.1.1]hexane,
2031259-34-2,
ZINC521399190,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.090212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.19g/mol |
| Monoisotopic Mass | 165.090212g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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