5-(5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)pyrimidine
12980
Reference
5-(5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)pyrimidine Structure
Systematic / IUPAC Name: 5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-3-(6-pyrimidin-5-ylpyridin-3-yl)-1,2,4-oxadiazole
ID: Reference12980
Other Names: NAT18-440347
Formula: C23H20N6O3
Spectral Data
5-(5-{5-[(2S)-1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)pyrimidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 743 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2024 9:01:02 AM |
Identificators
| InChI | InChI=1S/C23H20N6O3/c1-2-19(29(7-1)12-15-3-6-20-21(8-15)31-14-30-20)23-27-22(28-32-23)16-4-5-18(26-11-16)17-9-24-13-25-10-17/h3-6,8-11,13,19H,1-2,7,12,14H2/t19-/m0/s1 |
| InChI Key | WXSOBVSWSRDVRI-IBGZPJMESA-N |
| Canonical SMILES | C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NO4)C5=CN=C(C=C5)C6=CN=CN=C6 |
| CAS | |
| Splash | |
| Other Names | NAT18-440347 |