N5D
Summary
| Name: | N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide |
| Formula: | C13 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-cyclopropyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pyrazol-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1cn(nc1)CC(NC2CC2)=O)C(Nc3cc(C)on3)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H16N6O3/c1-8-4-11(18-22-8)17-13(21)16-10-5-14-19(6-10)7-12(20)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,21) |
| InChIKey | InChI | 1.03 | FKXAIMDAHQONDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 |
| SMILES | CACTVS | 3.385 | Cc1onc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3 |
