2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide

C16H12FN3O3 — CID 17488119

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1
InChIInChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20(16(22)23-15)10-14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,21)
InChIKeyQFZLTURSGWFOQL-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.28
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 17488119) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID17488119
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1
InChIInChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20(16(22)23-15)10-14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,21)
InChIKeyQFZLTURSGWFOQL-UHFFFAOYSA-N
XLogP2.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide (CID 17488119) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is QFZLTURSGWFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20(16(22)23-15)10-14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,21).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 313.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 17488119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).