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

C35H38N4O4 — CID 143886723

IUPAC6-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
SMILESCCCc1nc(CC)c(-c2ccc(OC(C)(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(OC)n2)cc1
InChIInChI=1S/C35H38N4O4/c1-7-11-30-36-29(8-2)31(25-18-20-26(21-19-25)42-35(3,4)5)33(40)39(30)22-23-14-16-24(17-15-23)27-12-9-10-13-28(27)32-37-34(41-6)43-38-32/h9-10,12-21H,7-8,11,22H2,1-6H3
InChIKeyYHBAARPGXNXZGX-UHFFFAOYSA-N
MW578.71 g/mol
LogP7.38
Rot. Bonds10

About 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

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 (PubChem CID 143886723) has the molecular formula C35H38N4O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID143886723
Molecular FormulaC35H38N4O4
Molecular Weight578.71 g/mol
Exact Mass578.29
IUPAC Name6-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
SMILESCCCc1nc(CC)c(-c2ccc(OC(C)(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(OC)n2)cc1
InChIInChI=1S/C35H38N4O4/c1-7-11-30-36-29(8-2)31(25-18-20-26(21-19-25)42-35(3,4)5)33(40)39(30)22-23-14-16-24(17-15-23)27-12-9-10-13-28(27)32-37-34(41-6)43-38-32/h9-10,12-21H,7-8,11,22H2,1-6H3
InChIKeyYHBAARPGXNXZGX-UHFFFAOYSA-N
XLogP7.38
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
potassium 3-[2-[4-[[4-(1-fluoroethyl)-6-oxo-5-(4-propan-2-yloxyphenyl)-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazol-5-olate
CID 59469386
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
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
2-[4-[[5-(6-ethoxy-3-pyridinyl)-4-ethyl-6-oxo-2-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 57461061
2-[4-[(5-cyclopropyl-4-ethyl-6-oxo-2-propylpyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460071
2,2-dimethylpropanoyloxymethyl 5-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19026348
5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 171379250
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
methyl N-[1-[2-[4-[[4-methyl-6-oxo-5-(4-propan-2-yloxyphenyl)-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]ethenyl]carbamate
CID 89131667
3-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 69182547
1-(1-methoxyethyl)-3-methyl-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911431

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1nc(CC)c(-c2ccc(OC(C)(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(OC)n2)cc1.
What is the InChIKey of 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?
The InChIKey is YHBAARPGXNXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4/c1-7-11-30-36-29(8-2)31(25-18-20-26(21-19-25)42-35(3,4)5)33(40)39(30)22-23-14-16-24(17-15-23)27-12-9-10-13-28(27)32-37-34(41-6)43-38-32/h9-10,12-21H,7-8,11,22H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 578.71 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143886723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).