ZQD

3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

Created:2021-05-19
Last modified:  2021-06-09

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count30
Aromatic Bond Count5
2D diagram of ZQD

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Chemical Component Summary

Name3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
Systematic Name (OpenEye OEToolkits)5-methyl-3-[(2~{S})-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
FormulaC9 H14 N2 O3 S
Molecular Weight230.284
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)N1CCCC1c1cc(C)on1
SMILESCACTVS3.385Cc1onc(c1)[CH]2CCCN2[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7Cc1cc(no1)C2CCCN2S(=O)(=O)C
Canonical SMILESCACTVS3.385 Cc1onc(c1)[C@@H]2CCCN2[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C
InChIInChI1.03 InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyInChI1.03 IUKADXXFBFQTOO-VIFPVBQESA-N

Related Resource References

Resource NameReference
PubChem 93070178