3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole

C18H13FN2O3 — CID 141091831

IUPAC3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc2cc(-c3ccc(F)cc3)oc2cc1-c1noc(C)n1
InChIInChI=1S/C18H13FN2O3/c1-10-20-18(21-24-10)14-9-16-12(8-17(14)22-2)7-15(23-16)11-3-5-13(19)6-4-11/h3-9H,1-2H3
InChIKeyCTWWVRPFQXQSEP-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.61
Rot. Bonds3

About 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole

3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 141091831) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID141091831
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc2cc(-c3ccc(F)cc3)oc2cc1-c1noc(C)n1
InChIInChI=1S/C18H13FN2O3/c1-10-20-18(21-24-10)14-9-16-12(8-17(14)22-2)7-15(23-16)11-3-5-13(19)6-4-11/h3-9H,1-2H3
InChIKeyCTWWVRPFQXQSEP-UHFFFAOYSA-N
XLogP4.61
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole (CID 141091831) is 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole is COc1cc2cc(-c3ccc(F)cc3)oc2cc1-c1noc(C)n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is CTWWVRPFQXQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-10-20-18(21-24-10)14-9-16-12(8-17(14)22-2)7-15(23-16)11-3-5-13(19)6-4-11/h3-9H,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole?
3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 324.31 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-5-methoxy-1-benzofuran-6-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 141091831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).