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

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count46
Aromatic Bond Count17
2D diagram of 8KV

Chemical Component Summary

NameN-{(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
FormulaC19 H19 N3 O3
Molecular Weight337.372
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3
SMILESCACTVS3.385COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)Nc3ccccc3
SMILESOpenEye OEToolkits2.0.6CC(c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3
Canonical SMILESCACTVS3.385 COc1cc(ccc1c2ocnc2)[C@H](C)NC(=O)Nc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3
InChIInChI1.03 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
InChIKeyInChI1.03 UDNLNRJCNHAFEZ-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
PubChem 124201670