N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide

C28H29N3O4 — CID 53103553

About N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide (PubChem CID 53103553) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
• PubChem CID: 53103553
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
• SMILES: Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccc(C)o5)CC4)ccc3o2)cc1
• InChI: InChI=1S/C28H29N3O4/c1-18-3-6-21(7-4-18)27-30-24-16-22(8-10-25(24)35-27)28(33)31-13-11-20(12-14-31)15-26(32)29-17-23-9-5-19(2)34-23/h3-10,16,20H,11-15,17H2,1-2H3,(H,29,32)
• InChIKey: RQZPRXMGGDHIOU-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide (CID 53103553) is N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide is Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccc(C)o5)CC4)ccc3o2)cc1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide?

The InChIKey is RQZPRXMGGDHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-18-3-6-21(7-4-18)27-30-24-16-22(8-10-25(24)35-27)28(33)31-13-11-20(12-14-31)15-26(32)29-17-23-9-5-19(2)34-23/h3-10,16,20H,11-15,17H2,1-2H3,(H,29,32).

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide?

N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53103553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).