5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C16H12N2O4 — CID 53126271

IUPAC5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccco4)n3)c(C)c2c1
InChIInChI=1S/C16H12N2O4/c1-9-11-8-10(19-2)5-6-12(11)21-14(9)15-17-16(22-18-15)13-4-3-7-20-13/h3-8H,1-2H3
InChIKeyMOPOCJDKJDSAMV-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.06
Rot. Bonds3

About 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126271) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126271
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccco4)n3)c(C)c2c1
InChIInChI=1S/C16H12N2O4/c1-9-11-8-10(19-2)5-6-12(11)21-14(9)15-17-16(22-18-15)13-4-3-7-20-13/h3-8H,1-2H3
InChIKeyMOPOCJDKJDSAMV-UHFFFAOYSA-N
XLogP4.06
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126271) is 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(-c4ccco4)n3)c(C)c2c1.
What is the InChIKey of 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is MOPOCJDKJDSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-9-11-8-10(19-2)5-6-12(11)21-14(9)15-17-16(22-18-15)13-4-3-7-20-13/h3-8H,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 296.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).