[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C26H27F5N4O3S — CID 58482266

IUPAC[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CC(S(F)(F)(F)(F)F)CN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H27F5N4O3S/c1-17-4-7-21(8-5-17)26(15-36)35-14-22(39(27,28,29,30)31)12-20(25(35)33-38-26)10-19-6-9-23(24(11-19)37-3)34-13-18(2)32-16-34/h4-11,13,16,22,36H,12,14-15H2,1-3H3/b20-10+
InChIKeySSGXOHQEUZPMEU-KEBDBYFISA-N
MW570.58 g/mol
LogP6.44
Rot. Bonds6

About [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 58482266) has the molecular formula C26H27F5N4O3S and a molecular weight of 570.58 g/mol. Its IUPAC name is [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID58482266
Molecular FormulaC26H27F5N4O3S
Molecular Weight570.58 g/mol
Exact Mass570.17
IUPAC Name[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CC(S(F)(F)(F)(F)F)CN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H27F5N4O3S/c1-17-4-7-21(8-5-17)26(15-36)35-14-22(39(27,28,29,30)31)12-20(25(35)33-38-26)10-19-6-9-23(24(11-19)37-3)34-13-18(2)32-16-34/h4-11,13,16,22,36H,12,14-15H2,1-3H3/b20-10+
InChIKeySSGXOHQEUZPMEU-KEBDBYFISA-N
XLogP6.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 58482266) is [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(/C=C2\CC(S(F)(F)(F)(F)F)CN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is SSGXOHQEUZPMEU-KEBDBYFISA-N. The full InChI is InChI=1S/C26H27F5N4O3S/c1-17-4-7-21(8-5-17)26(15-36)35-14-22(39(27,28,29,30)31)12-20(25(35)33-38-26)10-19-6-9-23(24(11-19)37-3)34-13-18(2)32-16-34/h4-11,13,16,22,36H,12,14-15H2,1-3H3/b20-10+.
What are the key properties of [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 570.58 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6-(pentafluoro-λ6-sulfanyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 58482266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).