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

C18H22N6O3 — CID 22586478

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cc(C)on2)c1=O
InChIInChI=1S/C18H22N6O3/c1-6-14-13(5)19-18(24-11(3)7-10(2)21-24)23(17(14)26)9-16(25)20-15-8-12(4)27-22-15/h7-8H,6,9H2,1-5H3,(H,20,22,25)
InChIKeyPPLZZXJXMNMIKJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.85
Rot. Bonds5

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

2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 22586478) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID22586478
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cc(C)on2)c1=O
InChIInChI=1S/C18H22N6O3/c1-6-14-13(5)19-18(24-11(3)7-10(2)21-24)23(17(14)26)9-16(25)20-15-8-12(4)27-22-15/h7-8H,6,9H2,1-5H3,(H,20,22,25)
InChIKeyPPLZZXJXMNMIKJ-UHFFFAOYSA-N
XLogP1.85
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16835863
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]acetate
CID 27656460
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27656488
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22586479
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51368489
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide
CID 18572093
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 18572095
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
N-(2,3-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]acetamide
CID 18567052
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)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7588316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 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) is 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-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)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cc(C)on2)c1=O.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PPLZZXJXMNMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-6-14-13(5)19-18(24-11(3)7-10(2)21-24)23(17(14)26)9-16(25)20-15-8-12(4)27-22-15/h7-8H,6,9H2,1-5H3,(H,20,22,25).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.85, 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)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 22586478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).