2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C22H23FN4O3 — CID 110119642

About 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 110119642) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
• PubChem CID: 110119642
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
• SMILES: Cc1ccc(=O)n(CC(=O)N2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)n1
• InChI: InChI=1S/C22H23FN4O3/c1-15-4-9-20(28)27(25-15)14-21(29)26-10-2-3-17(13-26)22-24-12-19(30-22)11-16-5-7-18(23)8-6-16/h4-9,12,17H,2-3,10-11,13-14H2,1H3
• InChIKey: CFPPWDNCZMEQPM-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 81.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The IUPAC name of 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 110119642) is 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

What is the SMILES notation for 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The canonical SMILES for 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)n1.

What is the InChIKey of 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The InChIKey is CFPPWDNCZMEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15-4-9-20(28)27(25-15)14-21(29)26-10-2-3-17(13-26)22-24-12-19(30-22)11-16-5-7-18(23)8-6-16/h4-9,12,17H,2-3,10-11,13-14H2,1H3.

What are the key properties of 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 410.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 110119642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).