4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one

C10H9FN2O2 — CID 71871872

IUPAC4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CCF
InChIInChI=1S/C10H9FN2O2/c11-6-7-13-9(12-15-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLDBPRROOMNYXNF-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.47
Rot. Bonds3

About 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one

4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 71871872) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID71871872
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CCF
InChIInChI=1S/C10H9FN2O2/c11-6-7-13-9(12-15-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLDBPRROOMNYXNF-UHFFFAOYSA-N
XLogP1.47
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one (CID 71871872) is 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is LDBPRROOMNYXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-6-7-13-9(12-15-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one?
4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 208.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 71871872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).