BPK
Summary
| Name: | {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol |
| Formula: | C18 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 295.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol |
| OpenEye OEToolkits | 1.7.2 | [3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(oc1c2ccccc2)C)COc3cc(ccc3)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3 |
| InChIKey | InChI | 1.03 | UPVJJOGZAKVERR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO |
