3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C26H29F2N3O3 — CID 55887392

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 55887392) has the molecular formula C26H29F2N3O3 and a molecular weight of 469.53 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
• PubChem CID: 55887392
• Molecular Formula: C26H29F2N3O3
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.22
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
• SMILES: COc1ccccc1C(CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)N1CCCCC1
• InChI: InChI=1S/C26H29F2N3O3/c1-33-23-8-4-3-7-20(23)22(31-13-5-2-6-14-31)16-29-25(32)11-12-26-30-17-24(34-26)19-10-9-18(27)15-21(19)28/h3-4,7-10,15,17,22H,2,5-6,11-14,16H2,1H3,(H,29,32)
• InChIKey: DOXXPYPLBSGWJJ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 55887392) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is COc1ccccc1C(CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)N1CCCCC1.

What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The InChIKey is DOXXPYPLBSGWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O3/c1-33-23-8-4-3-7-20(23)22(31-13-5-2-6-14-31)16-29-25(32)11-12-26-30-17-24(34-26)19-10-9-18(27)15-21(19)28/h3-4,7-10,15,17,22H,2,5-6,11-14,16H2,1H3,(H,29,32).

What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 469.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 55887392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).