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

C22H16FN3O3S — CID 27039814

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H16FN3O3S/c23-16-12-10-15(11-13-16)21-25-26(22(28)29-21)14-20(27)24-18-8-4-5-9-19(18)30-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)
InChIKeyIJOGZDJTAVIOGO-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.43
Rot. Bonds6

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 27039814) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID27039814
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H16FN3O3S/c23-16-12-10-15(11-13-16)21-25-26(22(28)29-21)14-20(27)24-18-8-4-5-9-19(18)30-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)
InChIKeyIJOGZDJTAVIOGO-UHFFFAOYSA-N
XLogP4.43
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 27039814) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is IJOGZDJTAVIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-16-12-10-15(11-13-16)21-25-26(22(28)29-21)14-20(27)24-18-8-4-5-9-19(18)30-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 421.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 27039814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).