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

C22H16FN3O2 — CID 1253215

IUPAC2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4F)cc3)o2)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-6-8-15(9-7-14)21-25-26-22(28-21)16-10-12-17(13-11-16)24-20(27)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,24,27)
InChIKeyWWIHVNLXMWFNAE-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.10
Rot. Bonds4

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

2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 1253215) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID1253215
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4F)cc3)o2)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-6-8-15(9-7-14)21-25-26-22(28-21)16-10-12-17(13-11-16)24-20(27)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,24,27)
InChIKeyWWIHVNLXMWFNAE-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 1253215) is 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4F)cc3)o2)cc1.
What is the InChIKey of 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is WWIHVNLXMWFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14-6-8-15(9-7-14)21-25-26-22(28-21)16-10-12-17(13-11-16)24-20(27)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,24,27).
What are the key properties of 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 373.39 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 1253215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).