2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide

C13H12Cl3N3O2 — CID 20528786

IUPAC2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCCc1nc(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)no1
InChIInChI=1S/C13H12Cl3N3O2/c1-2-3-12-17-10(19-21-12)6-11(20)18-13-8(15)4-7(14)5-9(13)16/h4-5H,2-3,6H2,1H3,(H,18,20)
InChIKeyWCGKBPDMISYEOR-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.16
Rot. Bonds5

About 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 20528786) has the molecular formula C13H12Cl3N3O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID20528786
Molecular FormulaC13H12Cl3N3O2
Molecular Weight348.62 g/mol
Exact Mass347.00
IUPAC Name2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCCc1nc(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)no1
InChIInChI=1S/C13H12Cl3N3O2/c1-2-3-12-17-10(19-21-12)6-11(20)18-13-8(15)4-7(14)5-9(13)16/h4-5H,2-3,6H2,1H3,(H,18,20)
InChIKeyWCGKBPDMISYEOR-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 20528786) is 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide is CCCc1nc(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)no1.
What is the InChIKey of 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is WCGKBPDMISYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O2/c1-2-3-12-17-10(19-21-12)6-11(20)18-13-8(15)4-7(14)5-9(13)16/h4-5H,2-3,6H2,1H3,(H,18,20).
What are the key properties of 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 348.62 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 20528786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).