[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C20H24FN4O2S+ — CID 8690059

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)NCCc1ccccc1F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C20H23FN4O2S/c1-2-11-25(14-19-23-24-20(27-19)17-8-5-12-28-17)13-18(26)22-10-9-15-6-3-4-7-16(15)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,26)/p+1
InChIKeyDAQDMUVNJIXUHY-UHFFFAOYSA-O
MW403.50 g/mol
LogP2.09
Rot. Bonds10

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8690059) has the molecular formula C20H24FN4O2S+ and a molecular weight of 403.50 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID8690059
Molecular FormulaC20H24FN4O2S+
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)NCCc1ccccc1F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C20H23FN4O2S/c1-2-11-25(14-19-23-24-20(27-19)17-8-5-12-28-17)13-18(26)22-10-9-15-6-3-4-7-16(15)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,26)/p+1
InChIKeyDAQDMUVNJIXUHY-UHFFFAOYSA-O
XLogP2.09
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8690059) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)NCCc1ccccc1F)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is DAQDMUVNJIXUHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN4O2S/c1-2-11-25(14-19-23-24-20(27-19)17-8-5-12-28-17)13-18(26)22-10-9-15-6-3-4-7-16(15)21/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,26)/p+1.
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 403.50 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8690059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).