[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H19FN4O3 — CID 91909905

IUPAC[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O3/c21-15-4-6-16(7-5-15)27-13-18-23-19(24-28-18)17-3-1-2-12-25(17)20(26)14-8-10-22-11-9-14/h4-11,17H,1-3,12-13H2
InChIKeyQPFVDFKFEZLDOD-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.55
Rot. Bonds5

About [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91909905) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91909905
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O3/c21-15-4-6-16(7-5-15)27-13-18-23-19(24-28-18)17-3-1-2-12-25(17)20(26)14-8-10-22-11-9-14/h4-11,17H,1-3,12-13H2
InChIKeyQPFVDFKFEZLDOD-UHFFFAOYSA-N
XLogP3.55
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91920648
2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 91920649
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91920685
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119467487
2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 91909905) is [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCCC1c1noc(COc2ccc(F)cc2)n1.
What is the InChIKey of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QPFVDFKFEZLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-4-6-16(7-5-15)27-13-18-23-19(24-28-18)17-3-1-2-12-25(17)20(26)14-8-10-22-11-9-14/h4-11,17H,1-3,12-13H2.
What are the key properties of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 382.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91909905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).