5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one

C15H9Cl2FN2O2 — CID 23042055

IUPAC5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1c(Cl)cccc1-n1nc(-c2c(F)cccc2Cl)oc1=O
InChIInChI=1S/C15H9Cl2FN2O2/c1-8-9(16)4-3-7-12(8)20-15(21)22-14(19-20)13-10(17)5-2-6-11(13)18/h2-7H,1H3
InChIKeyUNKNTHSYKPSLKW-UHFFFAOYSA-N
MW339.15 g/mol
LogP4.25
Rot. Bonds2

About 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one

5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042055) has the molecular formula C15H9Cl2FN2O2 and a molecular weight of 339.15 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042055
Molecular FormulaC15H9Cl2FN2O2
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1c(Cl)cccc1-n1nc(-c2c(F)cccc2Cl)oc1=O
InChIInChI=1S/C15H9Cl2FN2O2/c1-8-9(16)4-3-7-12(8)20-15(21)22-14(19-20)13-10(17)5-2-6-11(13)18/h2-7H,1H3
InChIKeyUNKNTHSYKPSLKW-UHFFFAOYSA-N
XLogP4.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one (CID 23042055) is 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one is Cc1c(Cl)cccc1-n1nc(-c2c(F)cccc2Cl)oc1=O.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is UNKNTHSYKPSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2/c1-8-9(16)4-3-7-12(8)20-15(21)22-14(19-20)13-10(17)5-2-6-11(13)18/h2-7H,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one?
5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 339.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).