3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole

C8H11BrN2O3 — CID 126752253

IUPAC3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESBrc1noc(COC2CCCCO2)n1
InChIInChI=1S/C8H11BrN2O3/c9-8-10-6(14-11-8)5-13-7-3-1-2-4-12-7/h7H,1-5H2
InChIKeyGFGSZMGSYGLHSK-UHFFFAOYSA-N
MW263.09 g/mol
LogP1.88
Rot. Bonds3

About 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole

3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 126752253) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID126752253
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESBrc1noc(COC2CCCCO2)n1
InChIInChI=1S/C8H11BrN2O3/c9-8-10-6(14-11-8)5-13-7-3-1-2-4-12-7/h7H,1-5H2
InChIKeyGFGSZMGSYGLHSK-UHFFFAOYSA-N
XLogP1.88
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 112571580
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
CID 164718904
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
CID 147113230
2-[[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methoxy]oxane
CID 14423027
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole (CID 126752253) is 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole is Brc1noc(COC2CCCCO2)n1.
What is the InChIKey of 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is GFGSZMGSYGLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c9-8-10-6(14-11-8)5-13-7-3-1-2-4-12-7/h7H,1-5H2.
What are the key properties of 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole?
3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 263.09 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126752253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).