(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C21H25FN4O3 — CID 137439601

IUPAC(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2noc(-c3ccnc(C4CCOC4)c3)n2)CC1)C1(F)CCC1
InChIInChI=1S/C21H25FN4O3/c22-21(6-1-7-21)20(27)26-9-3-14(4-10-26)18-24-19(29-25-18)15-2-8-23-17(12-15)16-5-11-28-13-16/h2,8,12,14,16H,1,3-7,9-11,13H2
InChIKeyOTAMSLLLGSQJOO-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.23
Rot. Bonds4

About (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 137439601) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID137439601
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2noc(-c3ccnc(C4CCOC4)c3)n2)CC1)C1(F)CCC1
InChIInChI=1S/C21H25FN4O3/c22-21(6-1-7-21)20(27)26-9-3-14(4-10-26)18-24-19(29-25-18)15-2-8-23-17(12-15)16-5-11-28-13-16/h2,8,12,14,16H,1,3-7,9-11,13H2
InChIKeyOTAMSLLLGSQJOO-UHFFFAOYSA-N
XLogP3.23
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 159423303
(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142573575
cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
[(3R)-oxolan-3-yl]-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417858

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 137439601) is (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(N1CCC(c2noc(-c3ccnc(C4CCOC4)c3)n2)CC1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is OTAMSLLLGSQJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-21(6-1-7-21)20(27)26-9-3-14(4-10-26)18-24-19(29-25-18)15-2-8-23-17(12-15)16-5-11-28-13-16/h2,8,12,14,16H,1,3-7,9-11,13H2.
What are the key properties of (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 400.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 137439601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).