[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone

C21H22N4O3 — CID 124999069

About [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone

[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 124999069) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
• PubChem CID: 124999069
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
• SMILES: COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccnnc3)o2)c1
• InChI: InChI=1S/C21H22N4O3/c1-27-17-6-4-5-15(11-17)12-18-14-22-20(28-18)19-7-2-3-10-25(19)21(26)16-8-9-23-24-13-16/h4-6,8-9,11,13-14,19H,2-3,7,10,12H2,1H3/t19-/m0/s1
• InChIKey: RMJNYYRHOSZUHM-IBGZPJMESA-N
• XLogP: 3.43
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?

The IUPAC name of [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone (CID 124999069) is [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone.

What is the SMILES notation for [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?

The canonical SMILES for [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone is COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccnnc3)o2)c1.

What is the InChIKey of [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?

The InChIKey is RMJNYYRHOSZUHM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-6-4-5-15(11-17)12-18-14-22-20(28-18)19-7-2-3-10-25(19)21(26)16-8-9-23-24-13-16/h4-6,8-9,11,13-14,19H,2-3,7,10,12H2,1H3/t19-/m0/s1.

What are the key properties of [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?

[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 378.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124999069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).