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

C15H17ClFN3O3 — CID 46943242

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H17ClFN3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(17)6-10(11)16/h4-6H,7-8H2,1-3H3,(H,18,20,21)
InChIKeyDYKBXHVKCCTNLC-UHFFFAOYSA-N
MW341.77 g/mol
LogP3.47
Rot. Bonds5

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

2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943242) has the molecular formula C15H17ClFN3O3 and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943242
Molecular FormulaC15H17ClFN3O3
Molecular Weight341.77 g/mol
Exact Mass341.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H17ClFN3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(17)6-10(11)16/h4-6H,7-8H2,1-3H3,(H,18,20,21)
InChIKeyDYKBXHVKCCTNLC-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943242) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is DYKBXHVKCCTNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O3/c1-15(2,3)7-13-19-20-14(23-13)18-12(21)8-22-11-5-4-9(17)6-10(11)16/h4-6H,7-8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 341.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).