5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C26H23FN4O2 — CID 70870822

About 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 70870822) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 70870822
• Molecular Formula: C26H23FN4O2
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.18
• IUPAC Name: 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1nc(-c2ccccc2)oc1F
• InChI: InChI=1S/C26H23FN4O2/c27-24-23(30-26(33-24)20-9-5-2-6-10-20)25(32)29-21-11-12-22(28-17-21)31-15-13-19(14-16-31)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,29,32)
• InChIKey: HEDUXDLXLWKDDS-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 70870822) is 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1nc(-c2ccccc2)oc1F.

What is the InChIKey of 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is HEDUXDLXLWKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-24-23(30-26(33-24)20-9-5-2-6-10-20)25(32)29-21-11-12-22(28-17-21)31-15-13-19(14-16-31)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,29,32).

What are the key properties of 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?

5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-phenyl-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70870822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).