1U3

N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine

Created:2013-06-05
Last modified:  2014-05-21

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count11
2D diagram of 1U3

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Chemical Component Summary

NameN-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
Systematic Name (OpenEye OEToolkits)2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]ethanoic acid
FormulaC13 H11 Cl N2 O4
Molecular Weight294.69
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CNC(=O)c2c(onc2c1c(Cl)cccc1)C
SMILESCACTVS3.370Cc1onc(c2ccccc2Cl)c1C(=O)NCC(O)=O
SMILESOpenEye OEToolkits1.7.6Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O
Canonical SMILESCACTVS3.370 Cc1onc(c2ccccc2Cl)c1C(=O)NCC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O
InChIInChI1.03 InChI=1S/C13H11ClN2O4/c1-7-11(13(19)15-6-10(17)18)12(16-20-7)8-4-2-3-5-9(8)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyInChI1.03 NDCUMIWQWHIBAL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 426788
ChEMBL CHEMBL1741573