5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one

C14H6Cl2F2N2O2 — CID 23042031

IUPAC5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cc(F)cc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C14H6Cl2F2N2O2/c15-8-3-1-2-4-11(8)20-14(21)22-13(19-20)12-9(16)5-7(17)6-10(12)18/h1-6H
InChIKeyJYQONPVSOAWYQQ-UHFFFAOYSA-N
MW343.12 g/mol
LogP4.08
Rot. Bonds2

About 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one

5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042031) has the molecular formula C14H6Cl2F2N2O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042031
Molecular FormulaC14H6Cl2F2N2O2
Molecular Weight343.12 g/mol
Exact Mass341.98
IUPAC Name5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cc(F)cc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C14H6Cl2F2N2O2/c15-8-3-1-2-4-11(8)20-14(21)22-13(19-20)12-9(16)5-7(17)6-10(12)18/h1-6H
InChIKeyJYQONPVSOAWYQQ-UHFFFAOYSA-N
XLogP4.08
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one (CID 23042031) is 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2c(F)cc(F)cc2Cl)nn1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is JYQONPVSOAWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F2N2O2/c15-8-3-1-2-4-11(8)20-14(21)22-13(19-20)12-9(16)5-7(17)6-10(12)18/h1-6H.
What are the key properties of 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 343.12 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).