4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C15H9ClFN3O2 — CID 4128171

IUPAC4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyZIICPNCCHIUJSX-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4128171) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4128171
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC Name4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyZIICPNCCHIUJSX-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4128171) is 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZIICPNCCHIUJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21).
What are the key properties of 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 317.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4128171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).