(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine

C25H22F4N4O2 — CID 25145552

About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (PubChem CID 25145552) has the molecular formula C25H22F4N4O2 and a molecular weight of 486.47 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
• PubChem CID: 25145552
• Molecular Formula: C25H22F4N4O2
• Molecular Weight: 486.47 g/mol
• Exact Mass: 486.17
• IUPAC Name: (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
• SMILES: COc1cc(/C=C2\CCCN3C2=NOC3(c2ccc(F)cc2)C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H22F4N4O2/c1-16-14-32(15-30-16)21-10-5-17(13-22(21)34-2)12-18-4-3-11-33-23(18)31-35-24(33,25(27,28)29)19-6-8-20(26)9-7-19/h5-10,12-15H,3-4,11H2,1-2H3/b18-12+
• InChIKey: ZSGDAZPUOZMHCP-LDADJPATSA-N
• XLogP: 5.57
• TPSA: 51.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.47
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?

The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (CID 25145552) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.

What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?

The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is COc1cc(/C=C2\CCCN3C2=NOC3(c2ccc(F)cc2)C(F)(F)F)ccc1-n1cnc(C)c1.

What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?

The InChIKey is ZSGDAZPUOZMHCP-LDADJPATSA-N. The full InChI is InChI=1S/C25H22F4N4O2/c1-16-14-32(15-30-16)21-10-5-17(13-22(21)34-2)12-18-4-3-11-33-23(18)31-35-24(33,25(27,28)29)19-6-8-20(26)9-7-19/h5-10,12-15H,3-4,11H2,1-2H3/b18-12+.

What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine has a molecular weight of 486.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is sourced from PubChem (CID 25145552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).