[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C21H20F2N2O3 — CID 76798096

IUPAC[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(C=C2CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C21H20F2N2O3/c1-27-19-12-14(4-9-18(19)23)11-15-3-2-10-25-20(15)24-28-21(25,13-26)16-5-7-17(22)8-6-16/h4-9,11-12,26H,2-3,10,13H2,1H3
InChIKeySHZGWCHMABLOJV-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.64
Rot. Bonds4

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

[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 76798096) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID76798096
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCOc1cc(C=C2CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C21H20F2N2O3/c1-27-19-12-14(4-9-18(19)23)11-15-3-2-10-25-20(15)24-28-21(25,13-26)16-5-7-17(22)8-6-16/h4-9,11-12,26H,2-3,10,13H2,1H3
InChIKeySHZGWCHMABLOJV-UHFFFAOYSA-N
XLogP3.64
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol with MolForge

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Related Compounds

[(8E)-3-(4-fluorophenyl)-8-[(3-methoxy-4-pyridazin-4-ylphenyl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 58476524
[3-(4-fluorophenyl)-8-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 76798049
[(8E)-8-[[4-(3-aminoazetidin-1-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;ethane
CID 143988129
[(8E)-8-[[4-(2,3-dimethylimidazol-4-yl)-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 58476508
[(8E)-3-(2,5-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 46200043
[(8E)-8-[(6-chloro-3-pyridinyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 46199572
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(2,4,6-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 46199883
[8-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 75171854
[(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
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
1-[(3S)-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 123983738
[8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-[4-(pentafluoro-λ6-sulfanyl)oxyphenyl]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 75147485

Frequently Asked Questions

What is the IUPAC name of [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 76798096) is [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is COc1cc(C=C2CCCN3C2=NOC3(CO)c2ccc(F)cc2)ccc1F.
What is the InChIKey of [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is SHZGWCHMABLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-27-19-12-14(4-9-18(19)23)11-15-3-2-10-25-20(15)24-28-21(25,13-26)16-5-7-17(22)8-6-16/h4-9,11-12,26H,2-3,10,13H2,1H3.
What are the key properties of [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
[8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 386.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-fluoro-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 76798096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).