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

C14H8ClFN2O2 — CID 23042033

IUPAC5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2Cl)nn1-c1ccccc1F
InChIInChI=1S/C14H8ClFN2O2/c15-10-6-2-1-5-9(10)13-17-18(14(19)20-13)12-8-4-3-7-11(12)16/h1-8H
InChIKeyBGPLUOLZAHJMBA-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.29
Rot. Bonds2

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

5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042033) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042033
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2Cl)nn1-c1ccccc1F
InChIInChI=1S/C14H8ClFN2O2/c15-10-6-2-1-5-9(10)13-17-18(14(19)20-13)12-8-4-3-7-11(12)16/h1-8H
InChIKeyBGPLUOLZAHJMBA-UHFFFAOYSA-N
XLogP3.29
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 23042033) is 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2Cl)nn1-c1ccccc1F.
What is the InChIKey of 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is BGPLUOLZAHJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-10-6-2-1-5-9(10)13-17-18(14(19)20-13)12-8-4-3-7-11(12)16/h1-8H.
What are the key properties of 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 290.68 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).