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

C22H16N6O4 — CID 122313142

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

5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 122313142) has the molecular formula C22H16N6O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 122313142
• Molecular Formula: C22H16N6O4
• Molecular Weight: 428.41 g/mol
• Exact Mass: 428.12
• IUPAC Name: 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)cc(-n2ccnc2)n1
• InChI: InChI=1S/C22H16N6O4/c1-14-24-20(28-9-8-23-13-28)12-21(25-14)31-16-6-4-15(5-7-16)26-22(29)17-11-19(32-27-17)18-3-2-10-30-18/h2-13H,1H3,(H,26,29)
• InChIKey: NHPFJVSXACLQQT-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 121.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.41
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide (CID 122313142) is 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)cc(-n2ccnc2)n1.

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

The InChIKey is NHPFJVSXACLQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O4/c1-14-24-20(28-9-8-23-13-28)12-21(25-14)31-16-6-4-15(5-7-16)26-22(29)17-11-19(32-27-17)18-3-2-10-30-18/h2-13H,1H3,(H,26,29).

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

5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122313142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).