3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

C26H29F2N3O2 — CID 60551952

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (PubChem CID 60551952) has the molecular formula C26H29F2N3O2 and a molecular weight of 453.53 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
• PubChem CID: 60551952
• Molecular Formula: C26H29F2N3O2
• Molecular Weight: 453.53 g/mol
• Exact Mass: 453.22
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
• SMILES: CC1CCN(C(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)CC1
• InChI: InChI=1S/C26H29F2N3O2/c1-18-11-13-31(14-12-18)23(19-5-3-2-4-6-19)16-29-25(32)9-10-26-30-17-24(33-26)21-8-7-20(27)15-22(21)28/h2-8,15,17-18,23H,9-14,16H2,1H3,(H,29,32)
• InChIKey: AHHZQTZZPLJCCF-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (CID 60551952) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.

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

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is CC1CCN(C(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)CC1.

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

The InChIKey is AHHZQTZZPLJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2/c1-18-11-13-31(14-12-18)23(19-5-3-2-4-6-19)16-29-25(32)9-10-26-30-17-24(33-26)21-8-7-20(27)15-22(21)28/h2-8,15,17-18,23H,9-14,16H2,1H3,(H,29,32).

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide has a molecular weight of 453.53 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 60551952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).