2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C20H20FN3O3S — CID 43974513

IUPAC2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O3S/c1-13(2)28-17-9-3-14(4-10-17)11-19-23-24-20(27-19)22-18(25)12-26-16-7-5-15(21)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyAQKFQJWGBBJSRG-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.32
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43974513) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43974513
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O3S/c1-13(2)28-17-9-3-14(4-10-17)11-19-23-24-20(27-19)22-18(25)12-26-16-7-5-15(21)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyAQKFQJWGBBJSRG-UHFFFAOYSA-N
XLogP4.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43974513) is 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(C)Sc1ccc(Cc2nnc(NC(=O)COc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AQKFQJWGBBJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-13(2)28-17-9-3-14(4-10-17)11-19-23-24-20(27-19)22-18(25)12-26-16-7-5-15(21)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43974513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).