2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C25H28FN5O2 — CID 71019337

IUPAC2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C34CCC(C5=NC(c6ccc(F)cc6)NO5)(CC3)CC4)nnc12
InChIInChI=1S/C25H28FN5O2/c1-23(2,32)18-4-3-15-31-20(18)28-29-21(31)24-9-12-25(13-10-24,14-11-24)22-27-19(30-33-22)16-5-7-17(26)8-6-16/h3-8,15,19,30,32H,9-14H2,1-2H3
InChIKeyFVNYXDFWDDYCFG-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.32
Rot. Bonds4

About 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 71019337) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID71019337
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C34CCC(C5=NC(c6ccc(F)cc6)NO5)(CC3)CC4)nnc12
InChIInChI=1S/C25H28FN5O2/c1-23(2,32)18-4-3-15-31-20(18)28-29-21(31)24-9-12-25(13-10-24,14-11-24)22-27-19(30-33-22)16-5-7-17(26)8-6-16/h3-8,15,19,30,32H,9-14H2,1-2H3
InChIKeyFVNYXDFWDDYCFG-UHFFFAOYSA-N
XLogP4.32
TPSA84.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 71019337) is 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C34CCC(C5=NC(c6ccc(F)cc6)NO5)(CC3)CC4)nnc12.
What is the InChIKey of 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is FVNYXDFWDDYCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-23(2,32)18-4-3-15-31-20(18)28-29-21(31)24-9-12-25(13-10-24,14-11-24)22-27-19(30-33-22)16-5-7-17(26)8-6-16/h3-8,15,19,30,32H,9-14H2,1-2H3.
What are the key properties of 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 449.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(4-fluorophenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 71019337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).