5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole

C13H13FN2O2 — CID 165475619

IUPAC5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(C2CCC2)n1
InChIInChI=1S/C13H13FN2O2/c1-17-11-6-5-9(14)7-10(11)12-15-13(18-16-12)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyQVRWOBUEAIBNIJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.15
Rot. Bonds3

About 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole

5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 165475619) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID165475619
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(C2CCC2)n1
InChIInChI=1S/C13H13FN2O2/c1-17-11-6-5-9(14)7-10(11)12-15-13(18-16-12)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyQVRWOBUEAIBNIJ-UHFFFAOYSA-N
XLogP3.15
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole (CID 165475619) is 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QVRWOBUEAIBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-17-11-6-5-9(14)7-10(11)12-15-13(18-16-12)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole?
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 165475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).