6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C21H20FN3O3 — CID 124964915

About 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124964915) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 124964915
• Molecular Formula: C21H20FN3O3
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.15
• IUPAC Name: 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1cccc(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1
• InChI: InChI=1S/C21H20FN3O3/c22-16-6-1-4-14(10-16)11-17-12-23-20(28-17)15-5-3-9-25(13-15)21(27)18-7-2-8-19(26)24-18/h1-2,4,6-8,10,12,15H,3,5,9,11,13H2,(H,24,26)/t15-/m0/s1
• InChIKey: IBDZAMZQDJEGKC-HNNXBMFYSA-N
• XLogP: 3.11
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 124964915) is 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1.

What is the InChIKey of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is IBDZAMZQDJEGKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-16-6-1-4-14(10-16)11-17-12-23-20(28-17)15-5-3-9-25(13-15)21(27)18-7-2-8-19(26)24-18/h1-2,4,6-8,10,12,15H,3,5,9,11,13H2,(H,24,26)/t15-/m0/s1.

What are the key properties of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 381.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124964915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).