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

C15H11Cl2N3O3S — CID 42110011

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(Cc2cccs2)o1
InChIInChI=1S/C15H11Cl2N3O3S/c16-9-3-4-12(11(17)6-9)22-8-13(21)18-15-20-19-14(23-15)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,18,20,21)
InChIKeyYQOQYSLTQDRSFN-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.05
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 42110011) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID42110011
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(Cc2cccs2)o1
InChIInChI=1S/C15H11Cl2N3O3S/c16-9-3-4-12(11(17)6-9)22-8-13(21)18-15-20-19-14(23-15)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,18,20,21)
InChIKeyYQOQYSLTQDRSFN-UHFFFAOYSA-N
XLogP4.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 42110011) is 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(Cc2cccs2)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is YQOQYSLTQDRSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-9-3-4-12(11(17)6-9)22-8-13(21)18-15-20-19-14(23-15)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,18,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 384.24 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 42110011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).