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

C19H19FN4O2 — CID 45226955

IUPAC[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H19FN4O2/c20-16-7-2-1-6-15(16)18-22-19(26-23-18)13-8-9-17(21-11-13)24-10-4-3-5-14(24)12-25/h1-2,6-9,11,14,25H,3-5,10,12H2
InChIKeyHVGKQQZVAZKEBO-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.29
Rot. Bonds4

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

[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol (PubChem CID 45226955) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
PubChem CID45226955
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H19FN4O2/c20-16-7-2-1-6-15(16)18-22-19(26-23-18)13-8-9-17(21-11-13)24-10-4-3-5-14(24)12-25/h1-2,6-9,11,14,25H,3-5,10,12H2
InChIKeyHVGKQQZVAZKEBO-UHFFFAOYSA-N
XLogP3.29
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol (CID 45226955) is [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol is OCC1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is HVGKQQZVAZKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-7-2-1-6-15(16)18-22-19(26-23-18)13-8-9-17(21-11-13)24-10-4-3-5-14(24)12-25/h1-2,6-9,11,14,25H,3-5,10,12H2.
What are the key properties of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 354.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 45226955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).