4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol

C23H26FN3O2 — CID 45236201

IUPAC4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2nc(Cc3cccc(F)c3)no2)cc1
InChIInChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)15-22-25-23(29-26-22)16-27-13-2-1-6-20(27)10-7-17-8-11-21(28)12-9-17/h3-5,8-9,11-12,14,20,28H,1-2,6-7,10,13,15-16H2
InChIKeySBBGIYXCXXAUJK-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.49
Rot. Bonds7

About 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol

4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 45236201) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol
PubChem CID45236201
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2nc(Cc3cccc(F)c3)no2)cc1
InChIInChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)15-22-25-23(29-26-22)16-27-13-2-1-6-20(27)10-7-17-8-11-21(28)12-9-17/h3-5,8-9,11-12,14,20,28H,1-2,6-7,10,13,15-16H2
InChIKeySBBGIYXCXXAUJK-UHFFFAOYSA-N
XLogP4.49
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol (CID 45236201) is 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol is Oc1ccc(CCC2CCCCN2Cc2nc(Cc3cccc(F)c3)no2)cc1.
What is the InChIKey of 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is SBBGIYXCXXAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)15-22-25-23(29-26-22)16-27-13-2-1-6-20(27)10-7-17-8-11-21(28)12-9-17/h3-5,8-9,11-12,14,20,28H,1-2,6-7,10,13,15-16H2.
What are the key properties of 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol?
4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 395.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 45236201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).