3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

C14H15BrFN3O — CID 104597623

IUPAC3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3cc(F)cc(Br)c3)no2)CCCCN1
InChIInChI=1S/C14H15BrFN3O/c1-14(4-2-3-5-17-14)13-18-12(19-20-13)9-6-10(15)8-11(16)7-9/h6-8,17H,2-5H2,1H3
InChIKeyAQRLFYGENVPMRE-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.63
Rot. Bonds2

About 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 104597623) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID104597623
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3cc(F)cc(Br)c3)no2)CCCCN1
InChIInChI=1S/C14H15BrFN3O/c1-14(4-2-3-5-17-14)13-18-12(19-20-13)9-6-10(15)8-11(16)7-9/h6-8,17H,2-5H2,1H3
InChIKeyAQRLFYGENVPMRE-UHFFFAOYSA-N
XLogP3.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 104880852
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137101480
3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 113430976
3-(3-bromo-5-fluorophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915031
5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 172908876
[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162099

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 104597623) is 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1(c2nc(-c3cc(F)cc(Br)c3)no2)CCCCN1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is AQRLFYGENVPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-14(4-2-3-5-17-14)13-18-12(19-20-13)9-6-10(15)8-11(16)7-9/h6-8,17H,2-5H2,1H3.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 340.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104597623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).