potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

C34H36FKN4O5 — CID 173053199

IUPACpotassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1nc(CC)c(-c2ccc(OC(C)(C)CO)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F.[H-].[K+]
InChIInChI=1S/C34H35FN4O5.K.H/c1-5-9-29-36-28(6-2)30(21-14-16-24(17-15-21)43-34(3,4)20-40)32(41)39(29)19-23-13-12-22(18-27(23)35)25-10-7-8-11-26(25)31-37-33(42)44-38-31;;/h7-8,10-18,40H,5-6,9,19-20H2,1-4H3,(H,37,38,42);;/q;+1;-1
InChIKeyGTKDEUMLCLRMPR-UHFFFAOYSA-N
MW638.78 g/mol
LogP2.89
Rot. Bonds11

About potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (PubChem CID 173053199) has the molecular formula C34H36FKN4O5 and a molecular weight of 638.78 g/mol. Its IUPAC name is potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.

Molecular Properties

Compound Namepotassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
PubChem CID173053199
Molecular FormulaC34H36FKN4O5
Molecular Weight638.78 g/mol
Exact Mass638.23
IUPAC Namepotassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1nc(CC)c(-c2ccc(OC(C)(C)CO)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F.[H-].[K+]
InChIInChI=1S/C34H35FN4O5.K.H/c1-5-9-29-36-28(6-2)30(21-14-16-24(17-15-21)43-34(3,4)20-40)32(41)39(29)19-23-13-12-22(18-27(23)35)25-10-7-8-11-26(25)31-37-33(42)44-38-31;;/h7-8,10-18,40H,5-6,9,19-20H2,1-4H3,(H,37,38,42);;/q;+1;-1
InChIKeyGTKDEUMLCLRMPR-UHFFFAOYSA-N
XLogP2.89
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazol-5-olate
CID 59469368
6-ethyl-3-[[4-[2-(5-methoxy-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-propylpyrimidin-4-one
CID 143886723
6-cyclopropyl-1-[[2-fluoro-4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 135876075
3-[2-[4-[[1-(1-benzofuran-5-yl)-4-butyl-2-ethyl-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143886447
3-[2-[4-[[2-butyl-4-cyclopropyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxopyrimidin-1-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazol-5-olate
CID 59469392
N-methoxy-N-methyl-2-[4-methyl-6-oxo-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-2-propylpyrimidin-5-yl]ethanethioamide
CID 142534038
3-[2-[4-[[5-[4-(aminomethoxy)phenyl]-2-butyl-4-cyclopropyl-6-oxopyrimidin-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143677240
3-[2-[4-[[4-methyl-6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 142534060
potassium;3-[2-[4-[(1-benzyl-4-butyl-2-methoxy-6-oxopyrimidin-5-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
CID 173053205
potassium;hydride;3-[2-[4-[[1-[4-(1-methoxypropan-2-yloxy)phenyl]-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 173052936
sodium;3-[2-[4-[[1-(4-cyclobutyloxyphenyl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
CID 173053186
3-[2-[4-[[2-methyl-1-[(4-methylsulfinylphenyl)methyl]-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136601129

Frequently Asked Questions

What is the IUPAC name of potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The IUPAC name of potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (CID 173053199) is potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.
What is the SMILES notation for potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The canonical SMILES for potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is CCCc1nc(CC)c(-c2ccc(OC(C)(C)CO)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F.[H-].[K+].
What is the InChIKey of potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The InChIKey is GTKDEUMLCLRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O5.K.H/c1-5-9-29-36-28(6-2)30(21-14-16-24(17-15-21)43-34(3,4)20-40)32(41)39(29)19-23-13-12-22(18-27(23)35)25-10-7-8-11-26(25)31-37-33(42)44-38-31;;/h7-8,10-18,40H,5-6,9,19-20H2,1-4H3,(H,37,38,42);;/q;+1;-1.
What are the key properties of potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride has a molecular weight of 638.78 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is sourced from PubChem (CID 173053199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).