3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole

C13H13F2N3O — CID 142693794

IUPAC3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2CCCN(c3ncon3)C2)c(F)c1
InChIInChI=1S/C13H13F2N3O/c14-10-3-4-11(12(15)6-10)9-2-1-5-18(7-9)13-16-8-19-17-13/h3-4,6,8-9H,1-2,5,7H2
InChIKeySMLQBQZXPAIVFK-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.73
Rot. Bonds2

About 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole

3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 142693794) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID142693794
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2CCCN(c3ncon3)C2)c(F)c1
InChIInChI=1S/C13H13F2N3O/c14-10-3-4-11(12(15)6-10)9-2-1-5-18(7-9)13-16-8-19-17-13/h3-4,6,8-9H,1-2,5,7H2
InChIKeySMLQBQZXPAIVFK-UHFFFAOYSA-N
XLogP2.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 142165697
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
CID 143435632
1-chloro-3-(2,4-difluorophenyl)cycloheptane
CID 64509762
2-(2,4-difluorophenyl)pyrrolidin-1-amine
CID 83531554
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene
CID 174812283
1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
CID 155405582
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045993

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole (CID 142693794) is 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole is Fc1ccc(C2CCCN(c3ncon3)C2)c(F)c1.
What is the InChIKey of 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is SMLQBQZXPAIVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-10-3-4-11(12(15)6-10)9-2-1-5-18(7-9)13-16-8-19-17-13/h3-4,6,8-9H,1-2,5,7H2.
What are the key properties of 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole?
3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 265.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-difluorophenyl)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 142693794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).