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

C7H4N2O4 — CID 28806052

IUPAC3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)no1
InChIInChI=1S/C7H4N2O4/c10-7(11)6-8-5(9-13-6)4-2-1-3-12-4/h1-3H,(H,10,11)
InChIKeyANHAIZBICJJAGR-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.03
Rot. Bonds2

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

3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 28806052) has the molecular formula C7H4N2O4 and a molecular weight of 180.12 g/mol. Its IUPAC name is 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID28806052
Molecular FormulaC7H4N2O4
Molecular Weight180.12 g/mol
Exact Mass180.02
IUPAC Name3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)no1
InChIInChI=1S/C7H4N2O4/c10-7(11)6-8-5(9-13-6)4-2-1-3-12-4/h1-3H,(H,10,11)
InChIKeyANHAIZBICJJAGR-UHFFFAOYSA-N
XLogP1.03
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid
CID 63850823
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167549
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 28806052) is 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(-c2ccco2)no1.
What is the InChIKey of 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is ANHAIZBICJJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O4/c10-7(11)6-8-5(9-13-6)4-2-1-3-12-4/h1-3H,(H,10,11).
What are the key properties of 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 180.12 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 28806052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).