![N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide](/api/spectrum/Cw7HZjC6gZ7/structure.png?h=300&w=458 "N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide")
| SpectraBase Compound ID | PdSJuJiVQr |
|---|---|
| InChI | InChI=1S/C17H18N4O2/c1-13-15(16(20-23-13)14-6-3-2-4-7-14)17(22)19-8-5-10-21-11-9-18-12-21/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,19,22) |
| InChIKey | KZRGLZSJVNLGOM-UHFFFAOYSA-N |
| Mol Weight | 310.36 g/mol |
| Molecular Formula | C17H18N4O2 |
| Exact Mass | 310.142976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cw7HZjC6gZ7 |
|---|---|
| Name | N-[3-(1H-Imidazol-1-yl)propyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.142975834 u |
| Formula | C17H18N4O2 |
| InChI | InChI=1S/C17H18N4O2/c1-13-15(16(20-23-13)14-6-3-2-4-7-14)17(22)19-8-5-10-21-11-9-18-12-21/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,19,22) |
| InChIKey | KZRGLZSJVNLGOM-UHFFFAOYSA-N |
| SMILES | N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)CCCN1C=NC=C1 |