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

C18H13FN2O3 — CID 53126284

IUPAC5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C18H13FN2O3/c1-10-14-9-13(22-2)7-8-15(14)23-16(10)17-20-18(24-21-17)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKeyJDZPDKXUHMTXGF-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.61
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126284) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126284
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C18H13FN2O3/c1-10-14-9-13(22-2)7-8-15(14)23-16(10)17-20-18(24-21-17)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKeyJDZPDKXUHMTXGF-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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Related Compounds

CID 121414283
CID 121414283
CID 2810520
CID 2810520
CID 121414303
CID 121414303
CID 121414313
CID 121414313
CID 121414318
CID 121414318
CID 132129743
CID 132129743
CID 155546317
CID 155546317
CID 71599358
CID 71599358
CID 121414253
CID 121414253
CID 121414287
CID 121414287
CID 121432524
CID 121432524
CID 121414325
CID 121414325

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126284) is 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(-c4ccc(F)cc4)n3)c(C)c2c1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is JDZPDKXUHMTXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-10-14-9-13(22-2)7-8-15(14)23-16(10)17-20-18(24-21-17)11-3-5-12(19)6-4-11/h3-9H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-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 5-(4-fluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).