6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C21H32N4O2 — CID 126862480

About 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862480) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
• PubChem CID: 126862480
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
• SMILES: CC(C)c1ocnc1CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1
• InChI: InChI=1S/C21H32N4O2/c1-15(2)20-17(22-14-27-20)13-24-10-8-16(9-11-24)12-25-19(26)7-6-18(23-25)21(3,4)5/h6-7,14-16H,8-13H2,1-5H3
• InChIKey: ZCUVZJUUDOMBKX-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862480) is 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

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

The canonical SMILES for 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is CC(C)c1ocnc1CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1.

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

The InChIKey is ZCUVZJUUDOMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15(2)20-17(22-14-27-20)13-24-10-8-16(9-11-24)12-25-19(26)7-6-18(23-25)21(3,4)5/h6-7,14-16H,8-13H2,1-5H3.

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

6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 372.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).