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

C19H15FN2O3 — CID 53126295

IUPAC5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(Cc4ccccc4F)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-11-14-10-13(23-2)7-8-16(14)24-18(11)19-21-17(25-22-19)9-12-5-3-4-6-15(12)20/h3-8,10H,9H2,1-2H3
InChIKeyIWVMBBJPGCXDDT-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.53
Rot. Bonds4

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

5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126295) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126295
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(Cc4ccccc4F)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-11-14-10-13(23-2)7-8-16(14)24-18(11)19-21-17(25-22-19)9-12-5-3-4-6-15(12)20/h3-8,10H,9H2,1-2H3
InChIKeyIWVMBBJPGCXDDT-UHFFFAOYSA-N
XLogP4.53
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126295) is 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(Cc4ccccc4F)n3)c(C)c2c1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is IWVMBBJPGCXDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11-14-10-13(23-2)7-8-16(14)24-18(11)19-21-17(25-22-19)9-12-5-3-4-6-15(12)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 338.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).