1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone

C24H18F7N5O2 — CID 123297998

About 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 123297998) has the molecular formula C24H18F7N5O2 and a molecular weight of 541.43 g/mol. Its IUPAC name is 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

• Compound Name: 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone
• PubChem CID: 123297998
• Molecular Formula: C24H18F7N5O2
• Molecular Weight: 541.43 g/mol
• Exact Mass: 541.13
• IUPAC Name: 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone
• SMILES: O=C(Cn1cccn1)N1CC(F)(c2ccc(C3=CC(c4cccc(C(F)(F)F)c4)(C(F)(F)F)ON3)cn2)C1
• InChI: InChI=1S/C24H18F7N5O2/c25-21(13-35(14-21)20(37)12-36-8-2-7-33-36)19-6-5-15(11-32-19)18-10-22(38-34-18,24(29,30)31)16-3-1-4-17(9-16)23(26,27)28/h1-11,34H,12-14H2
• InChIKey: DDJXOXHGCCHSMU-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.43
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone?

The IUPAC name of 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone (CID 123297998) is 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone.

What is the SMILES notation for 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone?

The canonical SMILES for 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(F)(c2ccc(C3=CC(c4cccc(C(F)(F)F)c4)(C(F)(F)F)ON3)cn2)C1.

What is the InChIKey of 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone?

The InChIKey is DDJXOXHGCCHSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F7N5O2/c25-21(13-35(14-21)20(37)12-36-8-2-7-33-36)19-6-5-15(11-32-19)18-10-22(38-34-18,24(29,30)31)16-3-1-4-17(9-16)23(26,27)28/h1-11,34H,12-14H2.

What are the key properties of 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone?

1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 541.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 123297998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).