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

C22H16FN3O2 — CID 46345829

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H16FN3O2/c23-18-13-11-15(12-14-18)19(24-20(27)16-7-3-1-4-8-16)22-26-25-21(28-22)17-9-5-2-6-10-17/h1-14,19H,(H,24,27)
InChIKeyIPJXDGQMHJATGH-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.40
Rot. Bonds5

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 46345829) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID46345829
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H16FN3O2/c23-18-13-11-15(12-14-18)19(24-20(27)16-7-3-1-4-8-16)22-26-25-21(28-22)17-9-5-2-6-10-17/h1-14,19H,(H,24,27)
InChIKeyIPJXDGQMHJATGH-UHFFFAOYSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 46345829) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is IPJXDGQMHJATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-18-13-11-15(12-14-18)19(24-20(27)16-7-3-1-4-8-16)22-26-25-21(28-22)17-9-5-2-6-10-17/h1-14,19H,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 373.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46345829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).