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

C15H17BrFN3O — CID 107923388

IUPAC3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3cc(F)ccc3Br)no2)C1
InChIInChI=1S/C15H17BrFN3O/c1-2-9-5-6-18-13(7-9)15-19-14(20-21-15)11-8-10(17)3-4-12(11)16/h3-4,8-9,13,18H,2,5-7H2,1H3
InChIKeyJZIYTYXNZDJPJM-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.09
Rot. Bonds3

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

3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107923388) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107923388
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3cc(F)ccc3Br)no2)C1
InChIInChI=1S/C15H17BrFN3O/c1-2-9-5-6-18-13(7-9)15-19-14(20-21-15)11-8-10(17)3-4-12(11)16/h3-4,8-9,13,18H,2,5-7H2,1H3
InChIKeyJZIYTYXNZDJPJM-UHFFFAOYSA-N
XLogP4.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-5-fluorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107923521
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114429997
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
3-(2-bromo-4-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107280122
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
3-(2-bromo-4-fluorophenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 107280008
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 114429886
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 107923431
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107923388) is 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(-c3cc(F)ccc3Br)no2)C1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JZIYTYXNZDJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-2-9-5-6-18-13(7-9)15-19-14(20-21-15)11-8-10(17)3-4-12(11)16/h3-4,8-9,13,18H,2,5-7H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 354.22 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107923388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).