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

C5H7BrN2O2 — CID 114771328

IUPAC2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
SMILESCCOCc1nnc(Br)o1
InChIInChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3
InChIKeyPHBIAKVGIKQYFK-UHFFFAOYSA-N
MW207.03 g/mol
LogP1.37
Rot. Bonds3

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

2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole (PubChem CID 114771328) has the molecular formula C5H7BrN2O2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
PubChem CID114771328
Molecular FormulaC5H7BrN2O2
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
SMILESCCOCc1nnc(Br)o1
InChIInChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3
InChIKeyPHBIAKVGIKQYFK-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

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

2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771401
3-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070936
2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
CID 164651903
2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
CID 114771387
2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 114771093
2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole
CID 90124998
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 154793562
5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86782947
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 62343639
2-(3-ethoxypropyl)-5-iodo-1,3,4-oxadiazole
CID 114771817
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 103212032

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole (CID 114771328) is 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole is CCOCc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole?
The InChIKey is PHBIAKVGIKQYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O2/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3.
What are the key properties of 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole?
2-bromo-5-(ethoxymethyl)-1,3,4-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 2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).