3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide

C22H23FN4O4S — CID 24571453

IUPAC3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide
SMILESCC(Oc1ccccc1F)c1nnc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)o1
InChIInChI=1S/C22H23FN4O4S/c1-15(30-18-10-6-5-9-17(18)23)21-25-26-22(31-21)32-14-20(29)27(12-11-19(24)28)13-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,24,28)
InChIKeyZNYIZDWARJXMDH-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.35
Rot. Bonds11

About 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide

3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide (PubChem CID 24571453) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide
PubChem CID24571453
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide
SMILESCC(Oc1ccccc1F)c1nnc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)o1
InChIInChI=1S/C22H23FN4O4S/c1-15(30-18-10-6-5-9-17(18)23)21-25-26-22(31-21)32-14-20(29)27(12-11-19(24)28)13-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,24,28)
InChIKeyZNYIZDWARJXMDH-UHFFFAOYSA-N
XLogP3.35
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide with MolForge

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Related Compounds

2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 24573800
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24573787
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24573740
2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 40808807
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 41208062
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7421479
N-[4-(cyanomethyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7630688
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41190020
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41023380
N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41153174
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957782
N,N-bis(2-cyanoethyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 30341306

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide (CID 24571453) is 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide is CC(Oc1ccccc1F)c1nnc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)o1.
What is the InChIKey of 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide?
The InChIKey is ZNYIZDWARJXMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-15(30-18-10-6-5-9-17(18)23)21-25-26-22(31-21)32-14-20(29)27(12-11-19(24)28)13-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,24,28).
What are the key properties of 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide?
3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide has a molecular weight of 458.52 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanamide is sourced from PubChem (CID 24571453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).