[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C27H26FN5O3 — CID 47092212

About [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 47092212) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 47092212
• Molecular Formula: C27H26FN5O3
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.20
• IUPAC Name: [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• SMILES: CCOc1ccc(Nc2ncccc2C(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)cc1
• InChI: InChI=1S/C27H26FN5O3/c1-2-35-22-12-10-21(11-13-22)30-25-23(9-4-14-29-25)27(34)33-15-5-7-19(17-33)26-31-24(32-36-26)18-6-3-8-20(28)16-18/h3-4,6,8-14,16,19H,2,5,7,15,17H2,1H3,(H,29,30)
• InChIKey: JGWTUEPGMFJHFD-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 47092212) is [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CCOc1ccc(Nc2ncccc2C(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)cc1.

What is the InChIKey of [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is JGWTUEPGMFJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-2-35-22-12-10-21(11-13-22)30-25-23(9-4-14-29-25)27(34)33-15-5-7-19(17-33)26-31-24(32-36-26)18-6-3-8-20(28)16-18/h3-4,6,8-14,16,19H,2,5,7,15,17H2,1H3,(H,29,30).

What are the key properties of [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 487.54 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 47092212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).