2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H20N6O3 — CID 16835863

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H20N6O3/c1-5-13-8-16(25)22(9-15(24)19-14-7-12(4)26-21-14)17(18-13)23-11(3)6-10(2)20-23/h6-8H,5,9H2,1-4H3,(H,19,21,24)
InChIKeyIPNGNWLLASDOOO-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.54
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 16835863) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID16835863
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H20N6O3/c1-5-13-8-16(25)22(9-15(24)19-14-7-12(4)26-21-14)17(18-13)23-11(3)6-10(2)20-23/h6-8H,5,9H2,1-4H3,(H,19,21,24)
InChIKeyIPNGNWLLASDOOO-UHFFFAOYSA-N
XLogP1.54
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 22586478
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7588316
N-(4-acetylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 7588341
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7254152
diethyl 5-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 41017868
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260
N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 18572095
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 27656474
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-N-methylacetamide
CID 41107128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 16835863) is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IPNGNWLLASDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-5-13-8-16(25)22(9-15(24)19-14-7-12(4)26-21-14)17(18-13)23-11(3)6-10(2)20-23/h6-8H,5,9H2,1-4H3,(H,19,21,24).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16835863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).