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

C9H8N2O4 — CID 44542618

IUPAC3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccoc2)no1
InChIInChI=1S/C9H8N2O4/c12-8(13)2-1-7-10-9(11-15-7)6-3-4-14-5-6/h3-5H,1-2H2,(H,12,13)
InChIKeySDHOVKREXIVDMG-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.35
Rot. Bonds4

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

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 44542618) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID44542618
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccoc2)no1
InChIInChI=1S/C9H8N2O4/c12-8(13)2-1-7-10-9(11-15-7)6-3-4-14-5-6/h3-5H,1-2H2,(H,12,13)
InChIKeySDHOVKREXIVDMG-UHFFFAOYSA-N
XLogP1.35
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 44542618) is 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(-c2ccoc2)no1.
What is the InChIKey of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is SDHOVKREXIVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-8(13)2-1-7-10-9(11-15-7)6-3-4-14-5-6/h3-5H,1-2H2,(H,12,13).
What are the key properties of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 208.17 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 44542618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).