2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

C20H14FN3O3S — CID 30331461

IUPAC2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C20H14FN3O3S/c21-13-7-9-14(10-8-13)26-12-18(25)22-16-5-2-1-4-15(16)20-23-19(24-27-20)17-6-3-11-28-17/h1-11H,12H2,(H,22,25)
InChIKeyGDQGRNSJYDDPLA-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.62
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 30331461) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID30331461
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C20H14FN3O3S/c21-13-7-9-14(10-8-13)26-12-18(25)22-16-5-2-1-4-15(16)20-23-19(24-27-20)17-6-3-11-28-17/h1-11H,12H2,(H,22,25)
InChIKeyGDQGRNSJYDDPLA-UHFFFAOYSA-N
XLogP4.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.62
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-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 30331461) is 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is GDQGRNSJYDDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-13-7-9-14(10-8-13)26-12-18(25)22-16-5-2-1-4-15(16)20-23-19(24-27-20)17-6-3-11-28-17/h1-11H,12H2,(H,22,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 30331461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).