2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C15H18BrN3O — CID 22432395

IUPAC2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1
InChIInChI=1S/C15H18BrN3O/c1-11-5-7-19(8-6-11)10-14-17-18-15(20-14)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyZGNAXMCRQCWZKW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.73
Rot. Bonds3

About 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 22432395) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID22432395
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1
InChIInChI=1S/C15H18BrN3O/c1-11-5-7-19(8-6-11)10-14-17-18-15(20-14)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyZGNAXMCRQCWZKW-UHFFFAOYSA-N
XLogP3.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 22432395) is 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is CC1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZGNAXMCRQCWZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11-5-7-19(8-6-11)10-14-17-18-15(20-14)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 336.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).