2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

C14H15FN4O2 — CID 136789949

IUPAC2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(C2CN3CCN2CC3)no1
InChIInChI=1S/C14H15FN4O2/c15-9-2-1-3-11(20)12(9)14-16-13(17-21-14)10-8-18-4-6-19(10)7-5-18/h1-3,10,20H,4-8H2
InChIKeyQYHQUICPMGTORR-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.25
Rot. Bonds2

About 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (PubChem CID 136789949) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
PubChem CID136789949
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(C2CN3CCN2CC3)no1
InChIInChI=1S/C14H15FN4O2/c15-9-2-1-3-11(20)12(9)14-16-13(17-21-14)10-8-18-4-6-19(10)7-5-18/h1-3,10,20H,4-8H2
InChIKeyQYHQUICPMGTORR-UHFFFAOYSA-N
XLogP1.25
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol with MolForge

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Related Compounds

4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904480
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
2-chloro-4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79959995
4-bromo-2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79959604
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743552
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79974712
5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole
CID 176584886
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
1-cyclopropyl-2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79974290

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The IUPAC name of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (CID 136789949) is 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The canonical SMILES for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is Oc1cccc(F)c1-c1nc(C2CN3CCN2CC3)no1.
What is the InChIKey of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The InChIKey is QYHQUICPMGTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-9-2-1-3-11(20)12(9)14-16-13(17-21-14)10-8-18-4-6-19(10)7-5-18/h1-3,10,20H,4-8H2.
What are the key properties of 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol has a molecular weight of 290.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136789949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).