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

C5H7BrN2O2 — CID 112571706

IUPAC3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole
SMILESCCOCc1nc(Br)no1
InChIInChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-5(6)8-10-4/h2-3H2,1H3
InChIKeyZWDNDMXTJPJFRU-UHFFFAOYSA-N
MW207.03 g/mol
LogP1.37
Rot. Bonds3

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

3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole (PubChem CID 112571706) has the molecular formula C5H7BrN2O2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole
PubChem CID112571706
Molecular FormulaC5H7BrN2O2
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole
SMILESCCOCc1nc(Br)no1
InChIInChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-5(6)8-10-4/h2-3H2,1H3
InChIKeyZWDNDMXTJPJFRU-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-bromo-1,2,4-oxadiazole-5-carboxylate
CID 21595357
5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
CID 103211788
3-Bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211792
3-Chloro-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211796
3-Iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211800
5-(Methoxymethyl)-1,2,4-oxadiazole
CID 19979497
5-(Methoxymethyl)-1,2,4-oxadiazol-3-amine
CID 51000339
5-(Methoxymethyl)-3-methyl-1,2,4-oxadiazole
CID 54080369
5-(Ethoxymethyl)-3-methyl-1,2,4-oxadiazole
CID 89983871
5-(Ethoxymethyl)-1,2,4-oxadiazole
CID 90687957
3-Iodo-5-(methoxymethyl)-1,2,4-oxadiazole
CID 112572172
Ethane;5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole
CID 144456423

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole (CID 112571706) is 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole is CCOCc1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is ZWDNDMXTJPJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-5(6)8-10-4/h2-3H2,1H3.
What are the key properties of 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole?
3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 207.03 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(ethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).