(2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C23H23F2N3O2 — CID 1454106

About (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 1454106) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 1454106
• Molecular Formula: C23H23F2N3O2
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.18
• IUPAC Name: (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• SMILES: CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1
• InChI: InChI=1S/C23H23F2N3O2/c1-14(2)15-8-10-16(11-9-15)21-26-22(30-27-21)17-5-4-12-28(13-17)23(29)20-18(24)6-3-7-19(20)25/h3,6-11,14,17H,4-5,12-13H2,1-2H3/t17-/m0/s1
• InChIKey: LOGMCLDIQGQBTL-KRWDZBQOSA-N
• XLogP: 5.16
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 1454106) is (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1.

What is the InChIKey of (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is LOGMCLDIQGQBTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c1-14(2)15-8-10-16(11-9-15)21-26-22(30-27-21)17-5-4-12-28(13-17)23(29)20-18(24)6-3-7-19(20)25/h3,6-11,14,17H,4-5,12-13H2,1-2H3/t17-/m0/s1.

What are the key properties of (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

(2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 411.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 1454106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).