FP7

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one

Created:2018-04-11
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count46
Aromatic Bond Count11
2D diagram of FP7

Chemical Component Summary

Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[4-[(1~{R})-1-oxidanylethyl]phenyl]methyl]pyridin-2-one
FormulaC19 H20 N2 O3
Molecular Weight324.374
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cc(CN2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O
SMILESCACTVS3.385C[CH](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1
SMILESOpenEye OEToolkits2.0.6Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O
Canonical SMILESCACTVS3.385 C[C@@H](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O
InChIInChI1.03 InChI=1S/C19H20N2O3/c1-12-19(14(3)24-20-12)17-8-9-18(23)21(11-17)10-15-4-6-16(7-5-15)13(2)22/h4-9,11,13,22H,10H2,1-3H3/t13-/m1/s1
InChIKeyInChI1.03 GYFSAKAXGZYFTD-CYBMUJFWSA-N

Related Resource References

Resource NameReference
PubChem 134817514