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

C20H20FN3O2S — CID 43974488

IUPAC2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyRATNFZHPZDJLGO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.48
Rot. Bonds7

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

2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43974488) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43974488
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyRATNFZHPZDJLGO-UHFFFAOYSA-N
XLogP4.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43974488) is 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RATNFZHPZDJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43974488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).