N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C20H23FN4O2S — CID 8690060

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(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)
InChIKeyDAQDMUVNJIXUHY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 8690060) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID8690060
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(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)
InChIKeyDAQDMUVNJIXUHY-UHFFFAOYSA-N
XLogP3.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 8690060) is N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)NCCc1ccccc1F)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is DAQDMUVNJIXUHY-UHFFFAOYSA-N. 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).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8690060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).