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

C29H29N3O3 — CID 129454739

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

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone (PubChem CID 129454739) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
• PubChem CID: 129454739
• Molecular Formula: C29H29N3O3
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.22
• IUPAC Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
• SMILES: COc1cccc(Cc2cncc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)c2)c1
• InChI: InChI=1S/C29H29N3O3/c1-34-25-11-7-10-22(17-25)14-23-15-24(19-30-18-23)29(33)32-13-6-5-12-27(32)28-31-20-26(35-28)16-21-8-3-2-4-9-21/h2-4,7-11,15,17-20,27H,5-6,12-14,16H2,1H3/t27-/m1/s1
• InChIKey: FXMNLLCZVHVWPB-HHHXNRCGSA-N
• XLogP: 5.63
• 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	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone (CID 129454739) is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone.

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

The canonical SMILES for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone is COc1cccc(Cc2cncc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)c2)c1.

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

The InChIKey is FXMNLLCZVHVWPB-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-34-25-11-7-10-22(17-25)14-23-15-24(19-30-18-23)29(33)32-13-6-5-12-27(32)28-31-20-26(35-28)16-21-8-3-2-4-9-21/h2-4,7-11,15,17-20,27H,5-6,12-14,16H2,1H3/t27-/m1/s1.

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

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone has a molecular weight of 467.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone is sourced from PubChem (CID 129454739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).