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

C17H14FN3O3S — CID 9179990

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C17H14FN3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)10-21-17(23)24-16(20-21)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZAOUYZIEAWFTSI-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.00
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 9179990) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID9179990
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C17H14FN3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)10-21-17(23)24-16(20-21)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZAOUYZIEAWFTSI-UHFFFAOYSA-N
XLogP3.00
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 9455138
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17488119
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
N-ethyl-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17511501
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 17537436
3-[2-(2,3-Dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17458719
N-(3,4-difluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanamide
CID 17544650
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8352311
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8352593
N-(3-fluoro-4-methylphenyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 8353305
N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9034226
N-(2,4-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9039565

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide (CID 9179990) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is ZAOUYZIEAWFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)10-21-17(23)24-16(20-21)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 3.00, 5 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-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9179990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).