2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C28H28N4O4 — CID 53093005

IUPAC2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C28H28N4O4/c1-5-34-22-10-6-20(7-11-22)24-16-26-28(33)31(14-15-32(26)30-24)17-25-19(4)36-27(29-25)21-8-12-23(13-9-21)35-18(2)3/h6-16,18H,5,17H2,1-4H3
InChIKeyNPYOKUAJSLTYJT-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.36
Rot. Bonds8

About 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53093005) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53093005
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C28H28N4O4/c1-5-34-22-10-6-20(7-11-22)24-16-26-28(33)31(14-15-32(26)30-24)17-25-19(4)36-27(29-25)21-8-12-23(13-9-21)35-18(2)3/h6-16,18H,5,17H2,1-4H3
InChIKeyNPYOKUAJSLTYJT-UHFFFAOYSA-N
XLogP5.36
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53092975
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043167
2-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093019
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371170
5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
2-(4-ethoxyphenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076191
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889262
5-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076232
2-(4-butoxyphenyl)-5-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076258

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53093005) is 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NPYOKUAJSLTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-5-34-22-10-6-20(7-11-22)24-16-26-28(33)31(14-15-32(26)30-24)17-25-19(4)36-27(29-25)21-8-12-23(13-9-21)35-18(2)3/h6-16,18H,5,17H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 484.56 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53093005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).