[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C26H26FN5O2 — CID 110120163

About [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110120163) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110120163
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: CCc1nccn1-c1ccc(C(=O)N2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)cn1
• InChI: InChI=1S/C26H26FN5O2/c1-2-23-28-11-13-32(23)24-10-7-19(15-29-24)26(33)31-12-3-4-20(17-31)25-30-16-22(34-25)14-18-5-8-21(27)9-6-18/h5-11,13,15-16,20H,2-4,12,14,17H2,1H3
• InChIKey: UEQLJHNGTNWTNQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 110120163) is [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCc1nccn1-c1ccc(C(=O)N2CCCC(c3ncc(Cc4ccc(F)cc4)o3)C2)cn1.

What is the InChIKey of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is UEQLJHNGTNWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-2-23-28-11-13-32(23)24-10-7-19(15-29-24)26(33)31-12-3-4-20(17-31)25-30-16-22(34-25)14-18-5-8-21(27)9-6-18/h5-11,13,15-16,20H,2-4,12,14,17H2,1H3.

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

[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 459.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110120163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).