[8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C26H26F2N4O3 — CID 91233499

About [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

[8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 91233499) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• PubChem CID: 91233499
• Molecular Formula: C26H26F2N4O3
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.20
• IUPAC Name: [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
• SMILES: COc1cc(C=C2CCCN3C2=NOC3(CO)c2cc(C)cc(F)c2)cc(F)c1-n1cnc(C)c1
• InChI: InChI=1S/C26H26F2N4O3/c1-16-7-20(12-21(27)8-16)26(14-33)32-6-4-5-19(25(32)30-35-26)9-18-10-22(28)24(23(11-18)34-3)31-13-17(2)29-15-31/h7-13,15,33H,4-6,14H2,1-3H3
• InChIKey: DWTXNNDPYASEFW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The IUPAC name of [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 91233499) is [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

What is the SMILES notation for [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The canonical SMILES for [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(C=C2CCCN3C2=NOC3(CO)c2cc(C)cc(F)c2)cc(F)c1-n1cnc(C)c1.

What is the InChIKey of [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

The InChIKey is DWTXNNDPYASEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-16-7-20(12-21(27)8-16)26(14-33)32-6-4-5-19(25(32)30-35-26)9-18-10-22(28)24(23(11-18)34-3)31-13-17(2)29-15-31/h7-13,15,33H,4-6,14H2,1-3H3.

What are the key properties of [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?

[8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 480.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-fluoro-5-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 91233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).