5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole

C10H16BrN3O — CID 115079772

IUPAC5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCCCC1Cc1noc(Br)n1
InChIInChI=1S/C10H16BrN3O/c1-2-14-6-4-3-5-8(14)7-9-12-10(11)15-13-9/h8H,2-7H2,1H3
InChIKeyIKQHRLYIWSUHCZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole

5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 115079772) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID115079772
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCCCC1Cc1noc(Br)n1
InChIInChI=1S/C10H16BrN3O/c1-2-14-6-4-3-5-8(14)7-9-12-10(11)15-13-9/h8H,2-7H2,1H3
InChIKeyIKQHRLYIWSUHCZ-UHFFFAOYSA-N
XLogP2.25
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanol
CID 115078115
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080670
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094179
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
1,2-diethylpiperidine
CID 19604037
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
1-[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanone
CID 115078131
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
1-[[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[[(2R)-1-ethylpiperidin-2-yl]methyl]urea
CID 124884485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole (CID 115079772) is 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole is CCN1CCCCC1Cc1noc(Br)n1.
What is the InChIKey of 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is IKQHRLYIWSUHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-2-14-6-4-3-5-8(14)7-9-12-10(11)15-13-9/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 274.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115079772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).