N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide

C26H27F2N3O3 — CID 46455789

About N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46455789) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide
• PubChem CID: 46455789
• Molecular Formula: C26H27F2N3O3
• Molecular Weight: 467.52 g/mol
• Exact Mass: 467.20
• IUPAC Name: N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)NC1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1
• InChI: InChI=1S/C26H27F2N3O3/c27-20-7-4-8-21(28)26(20)22-17-29-24(34-22)11-12-25(33)31-15-13-19(14-16-31)30-23(32)10-9-18-5-2-1-3-6-18/h1-8,17,19H,9-16H2,(H,30,32)
• InChIKey: NJQORWPJUMFPSP-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.52
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide?

The IUPAC name of N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide (CID 46455789) is N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide.

What is the SMILES notation for N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide?

The canonical SMILES for N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1.

What is the InChIKey of N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide?

The InChIKey is NJQORWPJUMFPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c27-20-7-4-8-21(28)26(20)22-17-29-24(34-22)11-12-25(33)31-15-13-19(14-16-31)30-23(32)10-9-18-5-2-1-3-6-18/h1-8,17,19H,9-16H2,(H,30,32).

What are the key properties of N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide?

N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 467.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46455789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).