[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C21H20FN3O2 — CID 125026997

About [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 125026997) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
• PubChem CID: 125026997
• Molecular Formula: C21H20FN3O2
• Molecular Weight: 365.41 g/mol
• Exact Mass: 365.15
• IUPAC Name: [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
• SMILES: O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1
• InChI: InChI=1S/C21H20FN3O2/c22-17-8-2-1-7-15(17)13-16-14-24-20(27-16)19-10-4-6-12-25(19)21(26)18-9-3-5-11-23-18/h1-3,5,7-9,11,14,19H,4,6,10,12-13H2/t19-/m0/s1
• InChIKey: ZXUFRBPXLPFHSF-IBGZPJMESA-N
• XLogP: 4.17
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.41
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?

The IUPAC name of [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 125026997) is [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?

The canonical SMILES for [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1.

What is the InChIKey of [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?

The InChIKey is ZXUFRBPXLPFHSF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-8-2-1-7-15(17)13-16-14-24-20(27-16)19-10-4-6-12-25(19)21(26)18-9-3-5-11-23-18/h1-3,5,7-9,11,14,19H,4,6,10,12-13H2/t19-/m0/s1.

What are the key properties of [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone?

[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 125026997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).