[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C26H25FN4O3 — CID 132779716

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 132779716) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 132779716
• Molecular Formula: C26H25FN4O3
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.19
• IUPAC Name: [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(-c4ccccc4F)n[nH]3)o2)c1
• InChI: InChI=1S/C26H25FN4O3/c1-33-18-8-6-7-17(13-18)14-19-16-28-25(34-19)24-11-4-5-12-31(24)26(32)23-15-22(29-30-23)20-9-2-3-10-21(20)27/h2-3,6-10,13,15-16,24H,4-5,11-12,14H2,1H3,(H,29,30)
• InChIKey: KHDPTXCWURKZBM-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 132779716) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(-c4ccccc4F)n[nH]3)o2)c1.

What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is KHDPTXCWURKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-33-18-8-6-7-17(13-18)14-19-16-28-25(34-19)24-11-4-5-12-31(24)26(32)23-15-22(29-30-23)20-9-2-3-10-21(20)27/h2-3,6-10,13,15-16,24H,4-5,11-12,14H2,1H3,(H,29,30).

What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 460.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 132779716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).