N6D
Summary
| Name: | N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| Formula: | C13 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 261.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| OpenEye OEToolkits | 2.0.6 | 1-[3-(methoxymethyl)phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O3/c1-9-6-12(16-19-9)15-13(17)14-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | YVOJGWYXMJROLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCc1cccc(NC(=O)Nc2cc(C)on2)c1 |
| SMILES | CACTVS | 3.385 | COCc1cccc(NC(=O)Nc2cc(C)on2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cccc(c2)COC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cccc(c2)COC |
