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

C11H8Br2N2O3 — CID 107980690

IUPAC3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C11H8Br2N2O3/c12-7-3-6(4-8(13)5-7)11-15-14-9(18-11)1-2-10(16)17/h3-5H,1-2H2,(H,16,17)
InChIKeyFDAMFLILMNZHHF-UHFFFAOYSA-N
MW376.00 g/mol
LogP3.28
Rot. Bonds4

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

3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 107980690) has the molecular formula C11H8Br2N2O3 and a molecular weight of 376.00 g/mol. Its IUPAC name is 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID107980690
Molecular FormulaC11H8Br2N2O3
Molecular Weight376.00 g/mol
Exact Mass373.89
IUPAC Name3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C11H8Br2N2O3/c12-7-3-6(4-8(13)5-7)11-15-14-9(18-11)1-2-10(16)17/h3-5H,1-2H2,(H,16,17)
InChIKeyFDAMFLILMNZHHF-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

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Related Compounds

4-[5-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929793
4-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107940452
3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 63186938
3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107940450
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
3-[5-(3-hydroxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929244
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 94692581
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
5-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 107953342
4-[5-(4-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 81296148

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 107980690) is 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is O=C(O)CCc1nnc(-c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is FDAMFLILMNZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O3/c12-7-3-6(4-8(13)5-7)11-15-14-9(18-11)1-2-10(16)17/h3-5H,1-2H2,(H,16,17).
What are the key properties of 3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(3,5-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-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 107980690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).