(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C29H29N3O3 — CID 132779855

About (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 132779855) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 132779855
• Molecular Formula: C29H29N3O3
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.22
• IUPAC Name: (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccc(Cc2cnc(C3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)o2)cc1
• InChI: InChI=1S/C29H29N3O3/c1-34-26-11-9-22(10-12-26)17-27-19-31-28(35-27)24-8-5-15-32(20-24)29(33)23-13-14-30-25(18-23)16-21-6-3-2-4-7-21/h2-4,6-7,9-14,18-19,24H,5,8,15-17,20H2,1H3
• InChIKey: XMKAMXAXGONDQN-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 132779855) is (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccc(Cc2cnc(C3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)o2)cc1.

What is the InChIKey of (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is XMKAMXAXGONDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-34-26-11-9-22(10-12-26)17-27-19-31-28(35-27)24-8-5-15-32(20-24)29(33)23-13-14-30-25(18-23)16-21-6-3-2-4-7-21/h2-4,6-7,9-14,18-19,24H,5,8,15-17,20H2,1H3.

What are the key properties of (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 467.57 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 132779855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).