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

C15H17Cl2N3O3 — CID 46943243

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H17Cl2N3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H,18,20,21)
InChIKeyDTDYZLBFRMXQPB-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.98
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943243) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943243
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H17Cl2N3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H,18,20,21)
InChIKeyDTDYZLBFRMXQPB-UHFFFAOYSA-N
XLogP3.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973670
2-(2,4-dichlorophenoxy)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 8698844
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 110190112
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943243) is 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is DTDYZLBFRMXQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 358.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).