3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

C12H9FN4O2 — CID 75527908

IUPAC3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C12H9FN4O2/c1-2-9-14-11(18-16-9)12-15-10(17-19-12)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3
InChIKeyZROFIIYCYHDXQZ-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.49
Rot. Bonds3

About 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 75527908) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID75527908
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C12H9FN4O2/c1-2-9-14-11(18-16-9)12-15-10(17-19-12)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3
InChIKeyZROFIIYCYHDXQZ-UHFFFAOYSA-N
XLogP2.49
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 75527908) is 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is CCc1noc(-c2nc(-c3ccccc3F)no2)n1.
What is the InChIKey of 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is ZROFIIYCYHDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-2-9-14-11(18-16-9)12-15-10(17-19-12)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 260.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75527908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).