3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

C20H13F2N7O — CID 90446402

About 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 90446402) has the molecular formula C20H13F2N7O and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
• PubChem CID: 90446402
• Molecular Formula: C20H13F2N7O
• Molecular Weight: 405.37 g/mol
• Exact Mass: 405.11
• IUPAC Name: 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
• SMILES: Fc1ccccc1Cn1nc(-c2ncc(F)c(-n3cccn3)n2)cc1-c1ccon1
• InChI: InChI=1S/C20H13F2N7O/c21-14-5-2-1-4-13(14)12-29-18(16-6-9-30-27-16)10-17(26-29)19-23-11-15(22)20(25-19)28-8-3-7-24-28/h1-11H,12H2
• InChIKey: PQLRYDXZCOPRLH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.37
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?

The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (CID 90446402) is 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.

What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?

The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(F)c(-n3cccn3)n2)cc1-c1ccon1.

What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?

The InChIKey is PQLRYDXZCOPRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N7O/c21-14-5-2-1-4-13(14)12-29-18(16-6-9-30-27-16)10-17(26-29)19-23-11-15(22)20(25-19)28-8-3-7-24-28/h1-11H,12H2.

What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?

3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 405.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 90446402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).