3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

C13H14Br2N4O — CID 114424999

IUPAC3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ncc(Br)cc3Br)no2)C1
InChIInChI=1S/C13H14Br2N4O/c1-7-2-3-16-10(4-7)13-18-12(19-20-13)11-9(15)5-8(14)6-17-11/h5-7,10,16H,2-4H2,1H3
InChIKeyYVWFFPXBCLYEBS-UHFFFAOYSA-N
MW402.09 g/mol
LogP3.72
Rot. Bonds2

About 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114424999) has the molecular formula C13H14Br2N4O and a molecular weight of 402.09 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114424999
Molecular FormulaC13H14Br2N4O
Molecular Weight402.09 g/mol
Exact Mass399.95
IUPAC Name3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ncc(Br)cc3Br)no2)C1
InChIInChI=1S/C13H14Br2N4O/c1-7-2-3-16-10(4-7)13-18-12(19-20-13)11-9(15)5-8(14)6-17-11/h5-7,10,16H,2-4H2,1H3
InChIKeyYVWFFPXBCLYEBS-UHFFFAOYSA-N
XLogP3.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 102949557
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912043
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424986
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
5-(4-methylpiperidin-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 114424980
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114424999) is 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCNC(c2nc(-c3ncc(Br)cc3Br)no2)C1.
What is the InChIKey of 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YVWFFPXBCLYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N4O/c1-7-2-3-16-10(4-7)13-18-12(19-20-13)11-9(15)5-8(14)6-17-11/h5-7,10,16H,2-4H2,1H3.
What are the key properties of 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 402.09 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114424999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).