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

C10H10N2O4 — CID 60908048

IUPAC3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCc1occc1-c1nnc(CCC(=O)O)o1
InChIInChI=1S/C10H10N2O4/c1-6-7(4-5-15-6)10-12-11-8(16-10)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyUJJWUMOGPKHKCA-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.66
Rot. Bonds4

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

3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 60908048) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID60908048
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCc1occc1-c1nnc(CCC(=O)O)o1
InChIInChI=1S/C10H10N2O4/c1-6-7(4-5-15-6)10-12-11-8(16-10)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyUJJWUMOGPKHKCA-UHFFFAOYSA-N
XLogP1.66
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 60908048) is 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid is Cc1occc1-c1nnc(CCC(=O)O)o1.
What is the InChIKey of 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is UJJWUMOGPKHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6-7(4-5-15-6)10-12-11-8(16-10)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 222.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 60908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).