5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C18H16FN3O2 — CID 22431526

IUPAC5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cc2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12(14-5-3-2-4-6-14)20-17(23)18-22-21-16(24-18)11-13-7-9-15(19)10-8-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyOYCDMYSUNOJYPU-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.29
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431526) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431526
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cc2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12(14-5-3-2-4-6-14)20-17(23)18-22-21-16(24-18)11-13-7-9-15(19)10-8-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyOYCDMYSUNOJYPU-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431526) is 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cc2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OYCDMYSUNOJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(14-5-3-2-4-6-14)20-17(23)18-22-21-16(24-18)11-13-7-9-15(19)10-8-13/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).