3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

C11H8Br2N2O3 — CID 107940450

IUPAC3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C11H8Br2N2O3/c12-6-1-2-7(8(13)5-6)11-15-14-9(18-11)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyHTNRXTGHXPELHX-UHFFFAOYSA-N
MW376.00 g/mol
LogP3.28
Rot. Bonds4

About 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 107940450) has the molecular formula C11H8Br2N2O3 and a molecular weight of 376.00 g/mol. Its IUPAC name is 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID107940450
Molecular FormulaC11H8Br2N2O3
Molecular Weight376.00 g/mol
Exact Mass373.89
IUPAC Name3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C11H8Br2N2O3/c12-6-1-2-7(8(13)5-6)11-15-14-9(18-11)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyHTNRXTGHXPELHX-UHFFFAOYSA-N
XLogP3.28
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.00
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid 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

4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 107940461
3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107980690
4-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930125
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929338
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107938667
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 107940450) is 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is O=C(O)CCc1nnc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is HTNRXTGHXPELHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O3/c12-6-1-2-7(8(13)5-6)11-15-14-9(18-11)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 376.00 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 107940450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).