N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide

C28H29N3O4 — CID 46378843

About N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide

N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46378843) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
• PubChem CID: 46378843
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
• SMILES: CC(Cc1ccco1)NC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1
• InChI: InChI=1S/C28H29N3O4/c1-19(16-23-8-5-15-34-23)29-26(32)17-20-11-13-31(14-12-20)28(33)22-9-10-24-25(18-22)35-27(30-24)21-6-3-2-4-7-21/h2-10,15,18-20H,11-14,16-17H2,1H3,(H,29,32)
• InChIKey: SNAAUVLYCGGXDB-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide (CID 46378843) is N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide is CC(Cc1ccco1)NC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1.

What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The InChIKey is SNAAUVLYCGGXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-19(16-23-8-5-15-34-23)29-26(32)17-20-11-13-31(14-12-20)28(33)22-9-10-24-25(18-22)35-27(30-24)21-6-3-2-4-7-21/h2-10,15,18-20H,11-14,16-17H2,1H3,(H,29,32).

What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46378843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).