N-(1,3-Benzodioxol-5-ylmethyl)-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
6715
Reference
N-(1,3-Benzodioxol-5-ylmethyl)-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide Structure
Systematic / IUPAC Name: N-(1,3-Benzodioxol-5-ylmethyl)-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
ID: Reference6715
Other Names: 1,2,4-Oxadiazole-5-propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyridinyl)-
Formula: C18H16N4O4
Spectral Data
N-(1,3-Benzodioxol-5-ylmethyl)-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 8/14/2017 7:43:29 AM |
Identificators
| InChI | InChI=1S/C18H16N4O4/c23-16(20-10-12-4-5-14-15(9-12)25-11-24-14)6-7-17-21-18(22-26-17)13-3-1-2-8-19-13/h1-5,8-9H,6-7,10-11H2,(H,20,23) |
| InChI Key | DLAOVRYYDJCYSM-UHFFFAOYSA-N |
| Canonical SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC(=NO3)C4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names | 1,2,4-Oxadiazole-5-propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyridinyl)- |
In Other Databases
| PubChem | 2813864 |
| ChEMBL | CHEMBL2142069 |
| ChemSpider | 2092260 |