1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

C22H18F6N4O4 — CID 147042694

About 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 147042694) has the molecular formula C22H18F6N4O4 and a molecular weight of 516.40 g/mol. Its IUPAC name is 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
• PubChem CID: 147042694
• Molecular Formula: C22H18F6N4O4
• Molecular Weight: 516.40 g/mol
• Exact Mass: 516.12
• IUPAC Name: 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
• SMILES: O=C(C(Cn1ccc(-c2noc(C(F)(F)F)n2)cc1=O)c1cccc(C(F)(F)F)c1)N1CCOCC1
• InChI: InChI=1S/C22H18F6N4O4/c23-21(24,25)15-3-1-2-13(10-15)16(19(34)31-6-8-35-9-7-31)12-32-5-4-14(11-17(32)33)18-29-20(36-30-18)22(26,27)28/h1-5,10-11,16H,6-9,12H2
• InChIKey: AZTLDCZIQMGNNK-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 90.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.40
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?

The IUPAC name of 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 147042694) is 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

What is the SMILES notation for 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?

The canonical SMILES for 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is O=C(C(Cn1ccc(-c2noc(C(F)(F)F)n2)cc1=O)c1cccc(C(F)(F)F)c1)N1CCOCC1.

What is the InChIKey of 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?

The InChIKey is AZTLDCZIQMGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O4/c23-21(24,25)15-3-1-2-13(10-15)16(19(34)31-6-8-35-9-7-31)12-32-5-4-14(11-17(32)33)18-29-20(36-30-18)22(26,27)28/h1-5,10-11,16H,6-9,12H2.

What are the key properties of 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?

1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 516.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 147042694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).