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

C24H19F2N3O3S — CID 17392616

IUPAC2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCC(Oc1ccccc1F)c1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1
InChIInChI=1S/C24H19F2N3O3S/c1-15(31-20-10-6-5-9-19(20)26)23-28-29-24(32-23)33-21(16-7-3-2-4-8-16)22(30)27-18-13-11-17(25)12-14-18/h2-15,21H,1H3,(H,27,30)
InChIKeyHXPIASOBJDZAJM-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.96
Rot. Bonds8

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

2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 17392616) has the molecular formula C24H19F2N3O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID17392616
Molecular FormulaC24H19F2N3O3S
Molecular Weight467.50 g/mol
Exact Mass467.11
IUPAC Name2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCC(Oc1ccccc1F)c1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1
InChIInChI=1S/C24H19F2N3O3S/c1-15(31-20-10-6-5-9-19(20)26)23-28-29-24(32-23)33-21(16-7-3-2-4-8-16)22(30)27-18-13-11-17(25)12-14-18/h2-15,21H,1H3,(H,27,30)
InChIKeyHXPIASOBJDZAJM-UHFFFAOYSA-N
XLogP5.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786651
N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41153174
N-[4-(cyanomethyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7630688
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7824763
methyl 5-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18775862
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 98670194
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 32866417
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7421479
(2S)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 40608941
(2R)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 7957737
N-[4-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide
CID 42902759
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 55764954

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide (CID 17392616) is 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide is CC(Oc1ccccc1F)c1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)o1.
What is the InChIKey of 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is HXPIASOBJDZAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3S/c1-15(31-20-10-6-5-9-19(20)26)23-28-29-24(32-23)33-21(16-7-3-2-4-8-16)22(30)27-18-13-11-17(25)12-14-18/h2-15,21H,1H3,(H,27,30).
What are the key properties of 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 467.50 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 17392616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).