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

C14H10ClN3O3S — CID 2104456

IUPAC2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-18-17-13(21-14)11-2-1-7-22-11/h1-7H,8H2,(H,16,18,19)
InChIKeyRSHRAQLFALUWLA-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.47
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 2104456) 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-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID2104456
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-18-17-13(21-14)11-2-1-7-22-11/h1-7H,8H2,(H,16,18,19)
InChIKeyRSHRAQLFALUWLA-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 2104456) is 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is RSHRAQLFALUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)20-8-12(19)16-14-18-17-13(21-14)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-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-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-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 2104456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).