8KV
N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
Created: | 2017-02-13 |
Last modified: | 2017-02-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 1 |
Bond Count | 46 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea |
Systematic Name (OpenEye OEToolkits) | 1-[(1~{S})-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl]-3-phenyl-urea |
Formula | C19 H19 N3 O3 |
Molecular Weight | 337.372 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)Nc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 |
Canonical SMILES | CACTVS | 3.385 | COc1cc(ccc1c2ocnc2)[C@H](C)NC(=O)Nc3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | UDNLNRJCNHAFEZ-ZDUSSCGKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 124201670 |