3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide

C24H27F2N3O2S — CID 34942725

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 34942725) has the molecular formula C24H27F2N3O2S and a molecular weight of 459.56 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
• PubChem CID: 34942725
• Molecular Formula: C24H27F2N3O2S
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.18
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
• SMILES: CC1CCN([C@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1
• InChI: InChI=1S/C24H27F2N3O2S/c1-16-9-11-29(12-10-16)19(21-6-3-13-32-21)14-27-22(30)7-8-23-28-15-20(31-23)24-17(25)4-2-5-18(24)26/h2-6,13,15-16,19H,7-12,14H2,1H3,(H,27,30)/t19-/m1/s1
• InChIKey: OBLHZBLAIZOPJD-LJQANCHMSA-N
• XLogP: 5.20
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide (CID 34942725) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide is CC1CCN([C@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The InChIKey is OBLHZBLAIZOPJD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27F2N3O2S/c1-16-9-11-29(12-10-16)19(21-6-3-13-32-21)14-27-22(30)7-8-23-28-15-20(31-23)24-17(25)4-2-5-18(24)26/h2-6,13,15-16,19H,7-12,14H2,1H3,(H,27,30)/t19-/m1/s1.

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 459.56 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 34942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).