4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C17H26FN3O2 — CID 126899855

About 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899855) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
• PubChem CID: 126899855
• Molecular Formula: C17H26FN3O2
• Molecular Weight: 323.41 g/mol
• Exact Mass: 323.20
• IUPAC Name: 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
• SMILES: CC(C)c1cnc(CN2CCC(N3CC(CF)CC3=O)CC2)o1
• InChI: InChI=1S/C17H26FN3O2/c1-12(2)15-9-19-16(23-15)11-20-5-3-14(4-6-20)21-10-13(8-18)7-17(21)22/h9,12-14H,3-8,10-11H2,1-2H3
• InChIKey: OMOCWPOZHZSQCA-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.41
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?

The IUPAC name of 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899855) is 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?

The canonical SMILES for 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is CC(C)c1cnc(CN2CCC(N3CC(CF)CC3=O)CC2)o1.

What is the InChIKey of 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?

The InChIKey is OMOCWPOZHZSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12(2)15-9-19-16(23-15)11-20-5-3-14(4-6-20)21-10-13(8-18)7-17(21)22/h9,12-14H,3-8,10-11H2,1-2H3.

What are the key properties of 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?

4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 323.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(fluoromethyl)-1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).