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

C15H17ClFN3O3 — CID 46943244

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)CCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H17ClFN3O3/c1-9(2)3-6-14-19-20-15(23-14)18-13(21)8-22-12-5-4-10(17)7-11(12)16/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,20,21)
InChIKeyPNASPXXGMKYSLE-UHFFFAOYSA-N
MW341.77 g/mol
LogP3.47
Rot. Bonds7

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

2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 46943244) 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-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID46943244
Molecular FormulaC15H17ClFN3O3
Molecular Weight341.77 g/mol
Exact Mass341.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)CCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H17ClFN3O3/c1-9(2)3-6-14-19-20-15(23-14)18-13(21)8-22-12-5-4-10(17)7-11(12)16/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,20,21)
InChIKeyPNASPXXGMKYSLE-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 46943244) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide is CC(C)CCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is PNASPXXGMKYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O3/c1-9(2)3-6-14-19-20-15(23-14)18-13(21)8-22-12-5-4-10(17)7-11(12)16/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 341.77 g/mol, XLogP of 3.47, 7 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-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 46943244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).