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

C20H14ClN3O3S — CID 45032525

IUPACN-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O3S/c21-14-6-8-15(9-7-14)22-18(25)12-26-16-4-1-3-13(11-16)19-23-20(27-24-19)17-5-2-10-28-17/h1-11H,12H2,(H,22,25)
InChIKeyLVOYXVQJSLCUHM-UHFFFAOYSA-N
MW411.87 g/mol
LogP5.14
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 45032525) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID45032525
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC NameN-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O3S/c21-14-6-8-15(9-7-14)22-18(25)12-26-16-4-1-3-13(11-16)19-23-20(27-24-19)17-5-2-10-28-17/h1-11H,12H2,(H,22,25)
InChIKeyLVOYXVQJSLCUHM-UHFFFAOYSA-N
XLogP5.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.87
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 45032525) is N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is O=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is LVOYXVQJSLCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c21-14-6-8-15(9-7-14)22-18(25)12-26-16-4-1-3-13(11-16)19-23-20(27-24-19)17-5-2-10-28-17/h1-11H,12H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 411.87 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 45032525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).