O67

N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide

Created:2019-06-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count52
Aromatic Bond Count11
2D diagram of O67

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Chemical Component Summary

NameN-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[5-bromanyl-2-[2-oxidanylidene-2-[(1-propanoylazetidin-3-yl)amino]ethoxy]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
FormulaC19 H21 Br N4 O5
Molecular Weight465.298
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(=O)N1CC(C1)NC(COc2ccc(Br)cc2NC(=O)c3cc(C)no3)=O
SMILESCACTVS3.385CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2NC(=O)c3onc(C)c3
SMILESOpenEye OEToolkits2.0.7CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br
Canonical SMILESCACTVS3.385 CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2NC(=O)c3onc(C)c3
Canonical SMILESOpenEye OEToolkits2.0.7 CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br
InChIInChI1.03 InChI=1S/C19H21BrN4O5/c1-3-18(26)24-8-13(9-24)21-17(25)10-28-15-5-4-12(20)7-14(15)22-19(27)16-6-11(2)23-29-16/h4-7,13H,3,8-10H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyInChI1.03 NYUIRHGUWQWWSY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 145946105