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

C19H15FN2O4 — CID 53011722

IUPAC5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(COc4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O4/c1-11-15-9-14(23-2)7-8-16(15)25-18(11)19-21-17(26-22-19)10-24-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3
InChIKeyMIVGLHLGSIELLS-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.52
Rot. Bonds5

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

5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53011722) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53011722
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(COc4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O4/c1-11-15-9-14(23-2)7-8-16(15)25-18(11)19-21-17(26-22-19)10-24-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3
InChIKeyMIVGLHLGSIELLS-UHFFFAOYSA-N
XLogP4.52
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53011722) is 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(COc4ccc(F)cc4)n3)c(C)c2c1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is MIVGLHLGSIELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-11-15-9-14(23-2)7-8-16(15)25-18(11)19-21-17(26-22-19)10-24-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 354.34 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).