2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide

C23H24ClFN4O4 — CID 154979264

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
SMILESCc1ccc(OCc2nnc(C3(C)CC(C)(NC(=O)COc4ccc(Cl)c(F)c4)C3)o2)cn1
InChIInChI=1S/C23H24ClFN4O4/c1-14-4-5-16(9-26-14)32-11-20-28-29-21(33-20)22(2)12-23(3,13-22)27-19(30)10-31-15-6-7-17(24)18(25)8-15/h4-9H,10-13H2,1-3H3,(H,27,30)
InChIKeyMCMYJIXOBKHNGW-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.15
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide (PubChem CID 154979264) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
PubChem CID154979264
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
SMILESCc1ccc(OCc2nnc(C3(C)CC(C)(NC(=O)COc4ccc(Cl)c(F)c4)C3)o2)cn1
InChIInChI=1S/C23H24ClFN4O4/c1-14-4-5-16(9-26-14)32-11-20-28-29-21(33-20)22(2)12-23(3,13-22)27-19(30)10-31-15-6-7-17(24)18(25)8-15/h4-9H,10-13H2,1-3H3,(H,27,30)
InChIKeyMCMYJIXOBKHNGW-UHFFFAOYSA-N
XLogP4.15
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide
CID 154979280
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(furo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylcyclobuten-1-yl]acetamide
CID 138631667
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3-fluoro-4-methylphenoxy)methyl]-1H-imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 162282428
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyrazine-2-carboxamide
CID 159152853
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-6-methylpyridine-3-carboxamide
CID 155123605
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 151291936

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide (CID 154979264) is 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide is Cc1ccc(OCc2nnc(C3(C)CC(C)(NC(=O)COc4ccc(Cl)c(F)c4)C3)o2)cn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide?
The InChIKey is MCMYJIXOBKHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c1-14-4-5-16(9-26-14)32-11-20-28-29-21(33-20)22(2)12-23(3,13-22)27-19(30)10-31-15-6-7-17(24)18(25)8-15/h4-9H,10-13H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide has a molecular weight of 474.92 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide is sourced from PubChem (CID 154979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).