potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

C32H31KN4O4 — CID 173053321

IUPACpotassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1ncn(-c2ccc3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.[H-].[K+]
InChIInChI=1S/C32H30N4O4.K.H/c1-4-7-27-26(30(37)36(19-33-27)23-14-15-28-22(17-23)18-32(2,3)39-28)16-20-10-12-21(13-11-20)24-8-5-6-9-25(24)29-34-31(38)40-35-29;;/h5-6,8-15,17,19H,4,7,16,18H2,1-3H3,(H,34,35,38);;/q;+1;-1
InChIKeyFBBGZJOJUGHFDP-UHFFFAOYSA-N
MW574.72 g/mol
LogP2.62
Rot. Bonds7

About potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (PubChem CID 173053321) has the molecular formula C32H31KN4O4 and a molecular weight of 574.72 g/mol. Its IUPAC name is potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.

Molecular Properties

Compound Namepotassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
PubChem CID173053321
Molecular FormulaC32H31KN4O4
Molecular Weight574.72 g/mol
Exact Mass574.20
IUPAC Namepotassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1ncn(-c2ccc3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.[H-].[K+]
InChIInChI=1S/C32H30N4O4.K.H/c1-4-7-27-26(30(37)36(19-33-27)23-14-15-28-22(17-23)18-32(2,3)39-28)16-20-10-12-21(13-11-20)24-8-5-6-9-25(24)29-34-31(38)40-35-29;;/h5-6,8-15,17,19H,4,7,16,18H2,1-3H3,(H,34,35,38);;/q;+1;-1
InChIKeyFBBGZJOJUGHFDP-UHFFFAOYSA-N
XLogP2.62
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride with MolForge

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Related Compounds

potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
CID 173052973
2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 57460369
2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile;ethane
CID 143677249
3-[2-[4-[(4-amino-2-methyl-6-propylpyrimidin-5-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143886498
3-[2-[4-[[4-butyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135955812
3-[5-[[2-butyl-5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-methyl-6-oxopyrimidin-1-yl]methyl]-2-phenylphenyl]-4H-1,2,4-oxadiazol-5-one
CID 136659065
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
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
3-[2-[4-[[2-(methylamino)-6-oxo-4-propyl-1-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143677192
sodium;3-[2-[4-[[4-butyl-1-(4-ethoxyphenyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
CID 173053057
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
3-[2-[4-[(4-butyl-2-methoxy-6-oxo-1-phenylpyrimidin-5-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135955811

Frequently Asked Questions

What is the IUPAC name of potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The IUPAC name of potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (CID 173053321) is potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.
What is the SMILES notation for potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The canonical SMILES for potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is CCCc1ncn(-c2ccc3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.[H-].[K+].
What is the InChIKey of potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The InChIKey is FBBGZJOJUGHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4.K.H/c1-4-7-27-26(30(37)36(19-33-27)23-14-15-28-22(17-23)18-32(2,3)39-28)16-20-10-12-21(13-11-20)24-8-5-6-9-25(24)29-34-31(38)40-35-29;;/h5-6,8-15,17,19H,4,7,16,18H2,1-3H3,(H,34,35,38);;/q;+1;-1.
What are the key properties of potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride has a molecular weight of 574.72 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-[2-[4-[[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is sourced from PubChem (CID 173053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).