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

C30H26F2N4O2 — CID 46198646

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

(8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (PubChem CID 46198646) has the molecular formula C30H26F2N4O2 and a molecular weight of 512.56 g/mol. Its IUPAC name is (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
• PubChem CID: 46198646
• Molecular Formula: C30H26F2N4O2
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.20
• IUPAC Name: (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
• SMILES: COc1cc(/C=C2\CCCN3C2=NOC3(c2ccc(F)cc2)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C30H26F2N4O2/c1-20-18-35(19-33-20)27-14-5-21(17-28(27)37-2)16-22-4-3-15-36-29(22)34-38-30(36,23-6-10-25(31)11-7-23)24-8-12-26(32)13-9-24/h5-14,16-19H,3-4,15H2,1-2H3/b22-16+
• InChIKey: SAGPBIZGBDJBNS-CJLVFECKSA-N
• XLogP: 6.19
• TPSA: 51.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (CID 46198646) is (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.

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

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

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

The InChIKey is SAGPBIZGBDJBNS-CJLVFECKSA-N. The full InChI is InChI=1S/C30H26F2N4O2/c1-20-18-35(19-33-20)27-14-5-21(17-28(27)37-2)16-22-4-3-15-36-29(22)34-38-30(36,23-6-10-25(31)11-7-23)24-8-12-26(32)13-9-24/h5-14,16-19H,3-4,15H2,1-2H3/b22-16+.

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

(8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine has a molecular weight of 512.56 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-3,3-bis(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is sourced from PubChem (CID 46198646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).