5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

C7H3ClN2O4 — CID 106689515

IUPAC5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C7H3ClN2O4/c8-4-2-1-3(13-4)6-9-5(7(11)12)10-14-6/h1-2H,(H,11,12)
InChIKeyCBBSHVSISYWZNA-UHFFFAOYSA-N
MW214.56 g/mol
LogP1.68
Rot. Bonds2

About 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 106689515) has the molecular formula C7H3ClN2O4 and a molecular weight of 214.56 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID106689515
Molecular FormulaC7H3ClN2O4
Molecular Weight214.56 g/mol
Exact Mass213.98
IUPAC Name5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C7H3ClN2O4/c8-4-2-1-3(13-4)6-9-5(7(11)12)10-14-6/h1-2H,(H,11,12)
InChIKeyCBBSHVSISYWZNA-UHFFFAOYSA-N
XLogP1.68
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.56
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 106689515) is 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2ccc(Cl)o2)n1.
What is the InChIKey of 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is CBBSHVSISYWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O4/c8-4-2-1-3(13-4)6-9-5(7(11)12)10-14-6/h1-2H,(H,11,12).
What are the key properties of 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 214.56 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 106689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).