1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one

C24H24ClF2N3O2 — CID 46579596

About 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one

1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 46579596) has the molecular formula C24H24ClF2N3O2 and a molecular weight of 459.92 g/mol. Its IUPAC name is 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
• PubChem CID: 46579596
• Molecular Formula: C24H24ClF2N3O2
• Molecular Weight: 459.92 g/mol
• Exact Mass: 459.15
• IUPAC Name: 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
• SMILES: CC(c1ccccc1Cl)N1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1
• InChI: InChI=1S/C24H24ClF2N3O2/c1-16(17-5-2-3-6-18(17)25)29-11-13-30(14-12-29)23(31)10-9-22-28-15-21(32-22)24-19(26)7-4-8-20(24)27/h2-8,15-16H,9-14H2,1H3
• InChIKey: SLNGURBAMHRZQK-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.92
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one?

The IUPAC name of 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one (CID 46579596) is 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one.

What is the SMILES notation for 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one?

The canonical SMILES for 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one is CC(c1ccccc1Cl)N1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1.

What is the InChIKey of 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one?

The InChIKey is SLNGURBAMHRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O2/c1-16(17-5-2-3-6-18(17)25)29-11-13-30(14-12-29)23(31)10-9-22-28-15-21(32-22)24-19(26)7-4-8-20(24)27/h2-8,15-16H,9-14H2,1H3.

What are the key properties of 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one?

1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 459.92 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 46579596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).