5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole

C5H7BrN2O2 — CID 115079641

IUPAC5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Br)n1
InChIInChI=1S/C5H7BrN2O2/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyWZWCEYKIJOQECF-UHFFFAOYSA-N
MW207.03 g/mol
LogP1.02
Rot. Bonds3

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

5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 115079641) has the molecular formula C5H7BrN2O2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID115079641
Molecular FormulaC5H7BrN2O2
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Br)n1
InChIInChI=1S/C5H7BrN2O2/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyWZWCEYKIJOQECF-UHFFFAOYSA-N
XLogP1.02
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-propyl-1,2,4-oxadiazole
CID 115079835
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349188
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069261
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349235
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793825
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 75530723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 115079641) is 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(Br)n1.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is WZWCEYKIJOQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O2/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 207.03 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 115079641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).