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

C8H4ClFN2O2 — CID 107994511

IUPAC5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C8H4ClFN2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyMPBJDXJSNVQARH-UHFFFAOYSA-N
MW214.58 g/mol
LogP1.82
Rot. Bonds1

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

5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 107994511) has the molecular formula C8H4ClFN2O2 and a molecular weight of 214.58 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID107994511
Molecular FormulaC8H4ClFN2O2
Molecular Weight214.58 g/mol
Exact Mass213.99
IUPAC Name5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C8H4ClFN2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyMPBJDXJSNVQARH-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 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one (CID 107994511) is 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MPBJDXJSNVQARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-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 5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 107994511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).