T5U
Summary
Name: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine |
Synonyms: | RO5256390 |
Formula: | C13 H18 N2 O |
Formal charge: | 0 |
Formula weight: | 218.295 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1 |
InChIKey | InChI | 1.06 | IXDKFUBXESWHSL-JQWIXIFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C[C@H]1COC(=N)N1)c2ccccc2 |
SMILES | CACTVS | 3.385 | CC[CH](C[CH]1COC(=N)N1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/N[C@H](CO1)C[C@H](CC)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC1COC(=N)N1)c2ccccc2 |