N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide

C22H15FN2O2 — CID 1326381

IUPACN-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-18-13-11-17(12-14-18)21(26)25-22-24-19(15-7-3-1-4-8-15)20(27-22)16-9-5-2-6-10-16/h1-14H,(H,24,25,26)
InChIKeyASMXBNYBIJRDSH-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.40
Rot. Bonds4

About N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide

N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide (PubChem CID 1326381) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
PubChem CID1326381
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC NameN-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-18-13-11-17(12-14-18)21(26)25-22-24-19(15-7-3-1-4-8-15)20(27-22)16-9-5-2-6-10-16/h1-14H,(H,24,25,26)
InChIKeyASMXBNYBIJRDSH-UHFFFAOYSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide (CID 1326381) is N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1.
What is the InChIKey of N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide?
The InChIKey is ASMXBNYBIJRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-18-13-11-17(12-14-18)21(26)25-22-24-19(15-7-3-1-4-8-15)20(27-22)16-9-5-2-6-10-16/h1-14H,(H,24,25,26).
What are the key properties of N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide?
N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide has a molecular weight of 358.37 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 1326381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).