3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one

C24H22ClF2N3O4 — CID 46462115

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 46462115) has the molecular formula C24H22ClF2N3O4 and a molecular weight of 489.91 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one
• PubChem CID: 46462115
• Molecular Formula: C24H22ClF2N3O4
• Molecular Weight: 489.91 g/mol
• Exact Mass: 489.13
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
• InChI: InChI=1S/C24H22ClF2N3O4/c25-17-7-5-16(6-8-17)20-15-28-21(33-20)9-10-22(31)29-11-13-30(14-12-29)23(32)18-3-1-2-4-19(18)34-24(26)27/h1-8,15,24H,9-14H2
• InChIKey: TXPHZFYVKJTVTG-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 75.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.91
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one (CID 46462115) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.

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

The InChIKey is TXPHZFYVKJTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O4/c25-17-7-5-16(6-8-17)20-15-28-21(33-20)9-10-22(31)29-11-13-30(14-12-29)23(32)18-3-1-2-4-19(18)34-24(26)27/h1-8,15,24H,9-14H2.

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 489.91 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46462115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).