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

C15H17BrClN3O — CID 115565652

IUPAC3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(Cl)c(Br)c3)no2)CCCNC1
InChIInChI=1S/C15H17BrClN3O/c1-2-15(6-3-7-18-9-15)14-19-13(20-21-14)10-4-5-12(17)11(16)8-10/h4-5,8,18H,2-3,6-7,9H2,1H3
InChIKeyJMNLBXQJLMCFFF-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.18
Rot. Bonds3

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

3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 115565652) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID115565652
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(Cl)c(Br)c3)no2)CCCNC1
InChIInChI=1S/C15H17BrClN3O/c1-2-15(6-3-7-18-9-15)14-19-13(20-21-14)10-4-5-12(17)11(16)8-10/h4-5,8,18H,2-3,6-7,9H2,1H3
InChIKeyJMNLBXQJLMCFFF-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115565653
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole
CID 81433134
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138006

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole (CID 115565652) is 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccc(Cl)c(Br)c3)no2)CCCNC1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JMNLBXQJLMCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-2-15(6-3-7-18-9-15)14-19-13(20-21-14)10-4-5-12(17)11(16)8-10/h4-5,8,18H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 370.68 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115565652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).