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

C17H22FN3O2 — CID 45226041

IUPAC2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C17H22FN3O2/c18-14-5-3-4-13(10-14)11-16-19-17(23-20-16)12-21-8-2-1-6-15(21)7-9-22/h3-5,10,15,22H,1-2,6-9,11-12H2
InChIKeyDKIBYVXMQYITLW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.54
Rot. Bonds6

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

2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 45226041) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol
PubChem CID45226041
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C17H22FN3O2/c18-14-5-3-4-13(10-14)11-16-19-17(23-20-16)12-21-8-2-1-6-15(21)7-9-22/h3-5,10,15,22H,1-2,6-9,11-12H2
InChIKeyDKIBYVXMQYITLW-UHFFFAOYSA-N
XLogP2.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol (CID 45226041) is 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is DKIBYVXMQYITLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-5-3-4-13(10-14)11-16-19-17(23-20-16)12-21-8-2-1-6-15(21)7-9-22/h3-5,10,15,22H,1-2,6-9,11-12H2.
What are the key properties of 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 319.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 45226041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).