3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C15H9ClF2N2O2 — CID 135368887

IUPAC3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H9ClF2N2O2/c16-11-2-1-3-12(18)13(11)14-19-22-15(21)20(14)8-9-4-6-10(17)7-5-9/h1-7H,8H2
InChIKeyJAMXEDYHDUJFON-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.48
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368887) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368887
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H9ClF2N2O2/c16-11-2-1-3-12(18)13(11)14-19-22-15(21)20(14)8-9-4-6-10(17)7-5-9/h1-7H,8H2
InChIKeyJAMXEDYHDUJFON-UHFFFAOYSA-N
XLogP3.48
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368887) is 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2c(F)cccc2Cl)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is JAMXEDYHDUJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-11-2-1-3-12(18)13(11)14-19-22-15(21)20(14)8-9-4-6-10(17)7-5-9/h1-7H,8H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 322.70 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).