[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C24H24FN5O3 — CID 46199573

IUPAC[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)n1
InChIInChI=1S/C24H24FN5O3/c1-16-26-15-30(27-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)28-33-24(29,14-31)19-6-8-20(25)9-7-19/h5-10,12-13,15,31H,3-4,11,14H2,1-2H3/b18-12+
InChIKeyNHFMUDKBUNBDKF-LDADJPATSA-N
MW449.49 g/mol
LogP3.39
Rot. Bonds5

About [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 46199573) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID46199573
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)n1
InChIInChI=1S/C24H24FN5O3/c1-16-26-15-30(27-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)28-33-24(29,14-31)19-6-8-20(25)9-7-19/h5-10,12-13,15,31H,3-4,11,14H2,1-2H3/b18-12+
InChIKeyNHFMUDKBUNBDKF-LDADJPATSA-N
XLogP3.39
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol with MolForge

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Related Compounds

[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25144288
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25145846
(3,5-difluorophenyl)-[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol
CID 46203602
(4S,5S,10E)-5-(3,5-difluorophenyl)-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,5,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazepin-4-ol
CID 46215514
1-[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 56946208
2-[[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methylamino]ethanol
CID 56946312
[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946423
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-phenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946528
[(8E)-3-(3-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946529
[(8E)-3-(2-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946627
[(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 56946629

Frequently Asked Questions

What is the IUPAC name of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 46199573) is [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)n1.
What is the InChIKey of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is NHFMUDKBUNBDKF-LDADJPATSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-16-26-15-30(27-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)28-33-24(29,14-31)19-6-8-20(25)9-7-19/h5-10,12-13,15,31H,3-4,11,14H2,1-2H3/b18-12+.
What are the key properties of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 449.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 46199573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).