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

C22H16FN3O2 — CID 163378776

IUPAC3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1
InChIInChI=1S/C22H16FN3O2/c1-14-11-17(13-18(23)12-14)20(27)24-19-9-7-16(8-10-19)22-26-25-21(28-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)
InChIKeyWILQAPYKCACUGH-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.10
Rot. Bonds4

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

3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 163378776) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID163378776
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1
InChIInChI=1S/C22H16FN3O2/c1-14-11-17(13-18(23)12-14)20(27)24-19-9-7-16(8-10-19)22-26-25-21(28-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)
InChIKeyWILQAPYKCACUGH-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 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 163378776) is 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1cc(F)cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is WILQAPYKCACUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14-11-17(13-18(23)12-14)20(27)24-19-9-7-16(8-10-19)22-26-25-21(28-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27).
What are the key properties of 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
3-fluoro-5-methyl-N-[4-(5-phenyl-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 3-fluoro-5-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 163378776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).