2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide

C14H10ClN3O3S — CID 20897233

IUPAC2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1noc(-c2cccs2)n1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-17-13(21-18-14)11-2-1-7-22-11/h1-7H,8H2,(H,16,18,19)
InChIKeyOYLRTCKOWASUBS-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide

2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 20897233) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID20897233
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1noc(-c2cccs2)n1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-17-13(21-18-14)11-2-1-7-22-11/h1-7H,8H2,(H,16,18,19)
InChIKeyOYLRTCKOWASUBS-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
3-[(4-Chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 2739741
2-(4-fluorophenoxy)-N-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 20897236
3-[(2-Chloro-4-fluorophenoxy)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 45859348
5-[(4-Chlorophenoxy)methyl]-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 3159859
2-(4-chlorophenoxy)-N-[3-(thiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 16454343
2-(2-chlorophenoxy)-N-[3-(thiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 16454353
2-(3-chlorophenoxy)-N-[3-(thiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 16455603
2-(4-bromophenoxy)-N-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 20897234
2-phenoxy-N-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 20897235
2-(4-chlorophenoxy)-N-[3-(5-methyl-2-thienyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 22509515
5-[(4-Chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 46361408

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide (CID 20897233) is 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1noc(-c2cccs2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is OYLRTCKOWASUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-17-13(21-18-14)11-2-1-7-22-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 335.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 20897233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).