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

C16H20FN3O2 — CID 45195793

IUPAC[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O2/c17-13-5-3-4-12(8-13)9-15-18-16(22-19-15)10-20-7-2-1-6-14(20)11-21/h3-5,8,14,21H,1-2,6-7,9-11H2
InChIKeyMYYCQGKWGHWRPZ-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds5

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

[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (PubChem CID 45195793) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
PubChem CID45195793
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O2/c17-13-5-3-4-12(8-13)9-15-18-16(22-19-15)10-20-7-2-1-6-14(20)11-21/h3-5,8,14,21H,1-2,6-7,9-11H2
InChIKeyMYYCQGKWGHWRPZ-UHFFFAOYSA-N
XLogP2.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (CID 45195793) is [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is MYYCQGKWGHWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-13-5-3-4-12(8-13)9-15-18-16(22-19-15)10-20-7-2-1-6-14(20)11-21/h3-5,8,14,21H,1-2,6-7,9-11H2.
What are the key properties of [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 305.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 45195793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).