3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one

C11H10N2O4 — CID 12805959

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2cccc3c2OCC3)c(=O)o1
InChIInChI=1S/C11H10N2O4/c1-15-10-12-13(11(14)17-10)8-4-2-3-7-5-6-16-9(7)8/h2-4H,5-6H2,1H3
InChIKeyVEPNNHQGUMAPKG-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.77
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one

3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one (PubChem CID 12805959) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one
PubChem CID12805959
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2cccc3c2OCC3)c(=O)o1
InChIInChI=1S/C11H10N2O4/c1-15-10-12-13(11(14)17-10)8-4-2-3-7-5-6-16-9(7)8/h2-4H,5-6H2,1H3
InChIKeyVEPNNHQGUMAPKG-UHFFFAOYSA-N
XLogP0.77
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one (CID 12805959) is 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one is COc1nn(-c2cccc3c2OCC3)c(=O)o1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one?
The InChIKey is VEPNNHQGUMAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-15-10-12-13(11(14)17-10)8-4-2-3-7-5-6-16-9(7)8/h2-4H,5-6H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one?
3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one has a molecular weight of 234.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 12805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).