5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C22H18N4O2S — CID 53043148

IUPAC5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-5-7-16(8-6-14)21-23-18(15(2)28-21)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-29-20/h3-12H,13H2,1-2H3
InChIKeyPYEDGAIVEJESTI-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.54
Rot. Bonds4

About 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043148) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043148
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-5-7-16(8-6-14)21-23-18(15(2)28-21)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-29-20/h3-12H,13H2,1-2H3
InChIKeyPYEDGAIVEJESTI-UHFFFAOYSA-N
XLogP4.54
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043148) is 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1.
What is the InChIKey of 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PYEDGAIVEJESTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-5-7-16(8-6-14)21-23-18(15(2)28-21)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-29-20/h3-12H,13H2,1-2H3.
What are the key properties of 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 402.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).