N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H20N6O3 — CID 122313569

About N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 122313569) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 122313569
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)c3cc(C)on3)cc2)cc(-n2cnc(C)c2C)n1
• InChI: InChI=1S/C21H20N6O3/c1-12-9-18(26-30-12)21(28)25-16-5-7-17(8-6-16)29-20-10-19(23-15(4)24-20)27-11-22-13(2)14(27)3/h5-11H,1-4H3,(H,25,28)
• InChIKey: AXDPQCJJMZBENV-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 122313569) is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3cc(C)on3)cc2)cc(-n2cnc(C)c2C)n1.

What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is AXDPQCJJMZBENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-12-9-18(26-30-12)21(28)25-16-5-7-17(8-6-16)29-20-10-19(23-15(4)24-20)27-11-22-13(2)14(27)3/h5-11H,1-4H3,(H,25,28).

What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122313569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).