[4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone

C23H25N3O3 — CID 110110228

About [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone

[4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110110228) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone
• PubChem CID: 110110228
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone
• SMILES: COc1cccc(Cc2cnc(C3(C)CCN(C(=O)c4ccccn4)CC3)o2)c1
• InChI: InChI=1S/C23H25N3O3/c1-23(9-12-26(13-10-23)21(27)20-8-3-4-11-24-20)22-25-16-19(29-22)15-17-6-5-7-18(14-17)28-2/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3
• InChIKey: BVCKDAOKRUYNSI-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone (CID 110110228) is [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone.

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

The canonical SMILES for [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone is COc1cccc(Cc2cnc(C3(C)CCN(C(=O)c4ccccn4)CC3)o2)c1.

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

The InChIKey is BVCKDAOKRUYNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(9-12-26(13-10-23)21(27)20-8-3-4-11-24-20)22-25-16-19(29-22)15-17-6-5-7-18(14-17)28-2/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3.

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

[4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 391.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).