2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide

C25H27F7N4O4 — CID 171507438

About 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide

2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 171507438) has the molecular formula C25H27F7N4O4 and a molecular weight of 580.50 g/mol. Its IUPAC name is 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide
• PubChem CID: 171507438
• Molecular Formula: C25H27F7N4O4
• Molecular Weight: 580.50 g/mol
• Exact Mass: 580.19
• IUPAC Name: 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide
• SMILES: CCN(C(=O)Cc1c(N2OCN(CC(O)CN(C)C)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
• InChI: InChI=1S/C25H27F7N4O4/c1-4-35(17-7-5-16(26)6-8-17)22(38)11-19-20(25(30,31)32)9-15(24(27,28)29)10-21(19)36-23(39)34(14-40-36)13-18(37)12-33(2)3/h5-10,18,37H,4,11-14H2,1-3H3
• InChIKey: DUKWHLPJSVVEJI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 76.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.50
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide (CID 171507438) is 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)Cc1c(N2OCN(CC(O)CN(C)C)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1.

What is the InChIKey of 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide?

The InChIKey is DUKWHLPJSVVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7N4O4/c1-4-35(17-7-5-16(26)6-8-17)22(38)11-19-20(25(30,31)32)9-15(24(27,28)29)10-21(19)36-23(39)34(14-40-36)13-18(37)12-33(2)3/h5-10,18,37H,4,11-14H2,1-3H3.

What are the key properties of 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide?

2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 580.50 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 171507438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).