6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C18H24F2N4O2 — CID 126944047

About 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944047) has the molecular formula C18H24F2N4O2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
• PubChem CID: 126944047
• Molecular Formula: C18H24F2N4O2
• Molecular Weight: 366.41 g/mol
• Exact Mass: 366.19
• IUPAC Name: 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
• SMILES: CC(C)c1cnc(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)o1
• InChI: InChI=1S/C18H24F2N4O2/c1-12(2)15-8-21-16(26-15)10-23-5-3-13(4-6-23)9-24-11-22-14(18(19)20)7-17(24)25/h7-8,11-13,18H,3-6,9-10H2,1-2H3
• InChIKey: RJFDEGQSQLXWAS-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.41
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The IUPAC name of 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944047) is 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)c1cnc(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)o1.

What is the InChIKey of 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The InChIKey is RJFDEGQSQLXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O2/c1-12(2)15-8-21-16(26-15)10-23-5-3-13(4-6-23)9-24-11-22-14(18(19)20)7-17(24)25/h7-8,11-13,18H,3-6,9-10H2,1-2H3.

What are the key properties of 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 366.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).