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

C20H19FN4O2 — CID 124987507

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

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 124987507) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
• PubChem CID: 124987507
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
• SMILES: O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C20H19FN4O2/c21-15-6-3-5-14(11-15)12-16-13-24-19(27-16)17-7-1-2-10-25(17)20(26)18-22-8-4-9-23-18/h3-6,8-9,11,13,17H,1-2,7,10,12H2/t17-/m0/s1
• InChIKey: OGGFSQGSQXLKBW-KRWDZBQOSA-N
• XLogP: 3.56
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 124987507) is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

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

The canonical SMILES for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1.

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

The InChIKey is OGGFSQGSQXLKBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-6-3-5-14(11-15)12-16-13-24-19(27-16)17-7-1-2-10-25(17)20(26)18-22-8-4-9-23-18/h3-6,8-9,11,13,17H,1-2,7,10,12H2/t17-/m0/s1.

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

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 366.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 124987507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).