4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C21H14FN3O2 — CID 50747825

IUPAC4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-10-6-15(7-11-17)20(26)23-18-12-8-16(9-13-18)21-24-19(25-27-21)14-4-2-1-3-5-14/h1-13H,(H,23,26)
InChIKeyCWKFYXLVDLVCQZ-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.80
Rot. Bonds4

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

4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 50747825) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID50747825
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-10-6-15(7-11-17)20(26)23-18-12-8-16(9-13-18)21-24-19(25-27-21)14-4-2-1-3-5-14/h1-13H,(H,23,26)
InChIKeyCWKFYXLVDLVCQZ-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 50747825) is 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is CWKFYXLVDLVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-10-6-15(7-11-17)20(26)23-18-12-8-16(9-13-18)21-24-19(25-27-21)14-4-2-1-3-5-14/h1-13H,(H,23,26).
What are the key properties of 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 359.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 50747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).