3-bromo-5-methoxy-1,2,4-oxadiazole

C3H3BrN2O2 — CID 112571439

IUPAC3-bromo-5-methoxy-1,2,4-oxadiazole
SMILESCOc1nc(Br)no1
InChIInChI=1S/C3H3BrN2O2/c1-7-3-5-2(4)6-8-3/h1H3
InChIKeyRPJGGIOIJFJZJU-UHFFFAOYSA-N
MW178.97 g/mol
LogP0.84
Rot. Bonds1

About 3-bromo-5-methoxy-1,2,4-oxadiazole

3-bromo-5-methoxy-1,2,4-oxadiazole (PubChem CID 112571439) has the molecular formula C3H3BrN2O2 and a molecular weight of 178.97 g/mol. Its IUPAC name is 3-bromo-5-methoxy-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-methoxy-1,2,4-oxadiazole
PubChem CID112571439
Molecular FormulaC3H3BrN2O2
Molecular Weight178.97 g/mol
Exact Mass177.94
IUPAC Name3-bromo-5-methoxy-1,2,4-oxadiazole
SMILESCOc1nc(Br)no1
InChIInChI=1S/C3H3BrN2O2/c1-7-3-5-2(4)6-8-3/h1H3
InChIKeyRPJGGIOIJFJZJU-UHFFFAOYSA-N
XLogP0.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.97
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-1,2,4-oxadiazole
CID 112571823
5-methoxy-1,2,4-oxadiazol-3-amine
CID 23279316
3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
CID 102660924
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633601
3-bromo-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112571736
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
4-bromo-3-methoxy-1,2-oxazole-5-carboxylic acid
CID 83867102
3-bromo-7-methoxy-2,1-benzoxazole
CID 105485119
3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 112571777
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641
3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 112571697
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-methoxy-1,2,4-oxadiazole (CID 112571439) is 3-bromo-5-methoxy-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-methoxy-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-methoxy-1,2,4-oxadiazole is COc1nc(Br)no1.
What is the InChIKey of 3-bromo-5-methoxy-1,2,4-oxadiazole?
The InChIKey is RPJGGIOIJFJZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2O2/c1-7-3-5-2(4)6-8-3/h1H3.
What are the key properties of 3-bromo-5-methoxy-1,2,4-oxadiazole?
3-bromo-5-methoxy-1,2,4-oxadiazole has a molecular weight of 178.97 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-1,2,4-oxadiazole is sourced from PubChem (CID 112571439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).