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

C22H18N4O3S — CID 27373375

IUPAC5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C22H18N4O3S/c1-14-18(23-21(29-14)15-5-7-16(28-2)8-6-15)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-30-20/h3-12H,13H2,1-2H3
InChIKeyDFPQFRLMIWFRGC-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.24
Rot. Bonds5

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

5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27373375) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID27373375
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C22H18N4O3S/c1-14-18(23-21(29-14)15-5-7-16(28-2)8-6-15)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-30-20/h3-12H,13H2,1-2H3
InChIKeyDFPQFRLMIWFRGC-UHFFFAOYSA-N
XLogP4.24
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3236501
methyl 4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 3244174
1-[5-[2-(4-Hydroxyphenyl)-1,3-benzoxazol-5-yl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 168288937
1-[5-[2-(4-Methoxyphenyl)-1,3-benzoxazol-5-yl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 171345168
2-({5-Methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-YL}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-1-one
CID 91890156
N-{2-[2-(4-Ethoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(thiophen-2-YL)acetamide
CID 91892735
2-(4-ethylphenyl)-5-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27371196
2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 16956487
N-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 26399940
N-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyl-1-(2-thienyl)ethanamine
CID 45192508
5-((2-(4-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53092974
2-(4-fluorophenyl)-5-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 53092977

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 27373375) is 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DFPQFRLMIWFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-14-18(23-21(29-14)15-5-7-16(28-2)8-6-15)13-25-9-10-26-19(22(25)27)12-17(24-26)20-4-3-11-30-20/h3-12H,13H2,1-2H3.
What are the key properties of 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 418.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27373375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).