3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one

C8H4ClFN2O2 — CID 135969140

IUPAC3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C8H4ClFN2O2/c9-5-3-4(1-2-6(5)10)7-11-8(13)14-12-7/h1-3H,(H,11,12,13)
InChIKeyXGEOHOUCXQNHEM-UHFFFAOYSA-N
MW214.58 g/mol
LogP1.82
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one

3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 135969140) has the molecular formula C8H4ClFN2O2 and a molecular weight of 214.58 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID135969140
Molecular FormulaC8H4ClFN2O2
Molecular Weight214.58 g/mol
Exact Mass213.99
IUPAC Name3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C8H4ClFN2O2/c9-5-3-4(1-2-6(5)10)7-11-8(13)14-12-7/h1-3H,(H,11,12,13)
InChIKeyXGEOHOUCXQNHEM-UHFFFAOYSA-N
XLogP1.82
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one (CID 135969140) is 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XGEOHOUCXQNHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O2/c9-5-3-4(1-2-6(5)10)7-11-8(13)14-12-7/h1-3H,(H,11,12,13).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one?
3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 214.58 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135969140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).