3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide

C₂₉H₃₂N₄O₄ — CID 58486082

About 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide

3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide (PubChem CID 58486082) has the molecular formula C₂₉H₃₂N₄O₄ and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide
• PubChem CID: 58486082
• Molecular Formula: C₂₉H₃₂N₄O₄
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide
• SMILES: CCCNC(=O)c1ccc2oc(=O)n(Cc3cccc(-c4ccc(OC5CCN(C)CC5)cn4)c3)c2c1
• InChI: InChI=1S/C29H32N4O4/c1-3-13-30-28(34)22-7-10-27-26(17-22)33(29(35)37-27)19-20-5-4-6-21(16-20)25-9-8-24(18-31-25)36-23-11-14-32(2)15-12-23/h4-10,16-18,23H,3,11-15,19H2,1-2H3,(H,30,34)
• InChIKey: RWIGDJKHGAAYRC-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide?

The IUPAC name of 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide (CID 58486082) is 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide.

What is the SMILES notation for 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide?

The canonical SMILES for 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide is CCCNC(=O)c1ccc2oc(=O)n(Cc3cccc(-c4ccc(OC5CCN(C)CC5)cn4)c3)c2c1.

What is the InChIKey of 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide?

The InChIKey is RWIGDJKHGAAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-3-13-30-28(34)22-7-10-27-26(17-22)33(29(35)37-27)19-20-5-4-6-21(16-20)25-9-8-24(18-31-25)36-23-11-14-32(2)15-12-23/h4-10,16-18,23H,3,11-15,19H2,1-2H3,(H,30,34).

What are the key properties of 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide?

3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]methyl]-2-oxo-N-propyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 58486082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58486082 — identifiers, structure, computed properties (public domain)

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