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

C16H11F2N3O2S — CID 43971912

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11F2N3O2S/c17-11-4-6-13(7-5-11)24-9-14(22)19-16-21-20-15(23-16)10-2-1-3-12(18)8-10/h1-8H,9H2,(H,19,21,22)
InChIKeyQRDXTDCOPNXCSE-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.75
Rot. Bonds5

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

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 43971912) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID43971912
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H11F2N3O2S/c17-11-4-6-13(7-5-11)24-9-14(22)19-16-21-20-15(23-16)10-2-1-3-12(18)8-10/h1-8H,9H2,(H,19,21,22)
InChIKeyQRDXTDCOPNXCSE-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43971918
2-(4-fluorophenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861350
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43971985
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 4559775
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4541646
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide (CID 43971912) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is QRDXTDCOPNXCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-11-4-6-13(7-5-11)24-9-14(22)19-16-21-20-15(23-16)10-2-1-3-12(18)8-10/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 347.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 43971912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).