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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Related Compounds

3-Phenyl-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135418577
3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 135480523
4-[3-(4-Fluoro-phenyl)-5-oxo-[1,2,4]oxadiazol-4-ylmethyl]-benzonitrile
CID 6487481
4-(5-Oxo-3-phenyl-[1,2,4]oxadiazol-4-yl)-butyronitrile
CID 645910
3-(4-Chloro-phenyl)-4-(4-fluoro-benzyl)-4H-[1,2,4]oxadiazol-5-one
CID 1435061
4-Benzyl-3-[12-(4-benzyl-5-oxo-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-one
CID 45484659
3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 136165594
(NZ)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 22214530
2-[3-(4-Chlorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile
CID 1435067
1,2,4-Oxadiazole, 4,5-dihydro-4-methyl-5-methylimino-3-phenyl-
CID 171384476
4-Methyl-3-phenyl-1,2,4-oxadiazol-5-one
CID 12266910
2-[[3-(4-Fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]methyl]benzonitrile
CID 1434977

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).