5-bromo-1,3,4-oxadiazole-2-carboxylic acid

C3HBrN2O3 — CID 82402411

IUPAC5-bromo-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(Br)o1
InChIInChI=1S/C3HBrN2O3/c4-3-6-5-1(9-3)2(7)8/h(H,7,8)
InChIKeyHFJYEZDDYZQTHA-UHFFFAOYSA-N
MW192.96 g/mol
LogP0.53
Rot. Bonds1

About 5-bromo-1,3,4-oxadiazole-2-carboxylic acid

5-bromo-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 82402411) has the molecular formula C3HBrN2O3 and a molecular weight of 192.96 g/mol. Its IUPAC name is 5-bromo-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID82402411
Molecular FormulaC3HBrN2O3
Molecular Weight192.96 g/mol
Exact Mass191.92
IUPAC Name5-bromo-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(Br)o1
InChIInChI=1S/C3HBrN2O3/c4-3-6-5-1(9-3)2(7)8/h(H,7,8)
InChIKeyHFJYEZDDYZQTHA-UHFFFAOYSA-N
XLogP0.53
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-bromo-1,3,4-oxadiazole-2-carboxylic acid (CID 82402411) is 5-bromo-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-bromo-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(Br)o1.
What is the InChIKey of 5-bromo-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is HFJYEZDDYZQTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrN2O3/c4-3-6-5-1(9-3)2(7)8/h(H,7,8).
What are the key properties of 5-bromo-1,3,4-oxadiazole-2-carboxylic acid?
5-bromo-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 192.96 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 82402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).