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

C18H22N6O3 — CID 7588380

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H22N6O3/c1-5-6-14-9-17(26)23(10-16(25)20-15-8-13(4)27-22-15)18(19-14)24-12(3)7-11(2)21-24/h7-9H,5-6,10H2,1-4H3,(H,20,22,25)
InChIKeyAOWQQVQTWGUWJJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.93
Rot. Bonds6

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7588380) 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)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7588380
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H22N6O3/c1-5-6-14-9-17(26)23(10-16(25)20-15-8-13(4)27-22-15)18(19-14)24-12(3)7-11(2)21-24/h7-9H,5-6,10H2,1-4H3,(H,20,22,25)
InChIKeyAOWQQVQTWGUWJJ-UHFFFAOYSA-N
XLogP1.93
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7588380) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCc1cc(=O)n(CC(=O)Nc2cc(C)on2)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AOWQQVQTWGUWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-5-6-14-9-17(26)23(10-16(25)20-15-8-13(4)27-22-15)18(19-14)24-12(3)7-11(2)21-24/h7-9H,5-6,10H2,1-4H3,(H,20,22,25).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.93, 6 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)-6-oxo-4-propylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7588380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).