U5T
Summary
| Name: | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one |
| Formula: | C16 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 281.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+ |
| InChIKey | InChI | 1.03 | BNKZAUBGRRNYQS-VGOFMYFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)\C=C/2N=C(OC/2=O)c3ccc(C)c(C)c3 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)C2=NC(=Cc3cnn(c3)C)C(=O)O2 |
