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

C16H11FN2O2 — CID 2810520

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-4-1-10(2-5-13)15-18-16(21-19-15)12-3-6-14-11(9-12)7-8-20-14/h1-6,9H,7-8H2
InChIKeyHQQNMHKTCREMRF-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.48
Rot. Bonds2

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

5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 2810520) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID2810520
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-4-1-10(2-5-13)15-18-16(21-19-15)12-3-6-14-11(9-12)7-8-20-14/h1-6,9H,7-8H2
InChIKeyHQQNMHKTCREMRF-UHFFFAOYSA-N
XLogP3.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 2810520) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is HQQNMHKTCREMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-4-1-10(2-5-13)15-18-16(21-19-15)12-3-6-14-11(9-12)7-8-20-14/h1-6,9H,7-8H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 282.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2810520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).