2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C22H23F3N4O2 — CID 53155359

IUPAC2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N4O2/c1-13-9-18(21-28-27-20(31-21)16-6-4-7-16)14(2)29(13)12-19(30)26-11-15-5-3-8-17(10-15)22(23,24)25/h3,5,8-10,16H,4,6-7,11-12H2,1-2H3,(H,26,30)
InChIKeyKCROHASJRNAMBC-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.76
Rot. Bonds6

About 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 53155359) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID53155359
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N4O2/c1-13-9-18(21-28-27-20(31-21)16-6-4-7-16)14(2)29(13)12-19(30)26-11-15-5-3-8-17(10-15)22(23,24)25/h3,5,8-10,16H,4,6-7,11-12H2,1-2H3,(H,26,30)
InChIKeyKCROHASJRNAMBC-UHFFFAOYSA-N
XLogP4.76
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]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-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 53155359) is 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KCROHASJRNAMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-13-9-18(21-28-27-20(31-21)16-6-4-7-16)14(2)29(13)12-19(30)26-11-15-5-3-8-17(10-15)22(23,24)25/h3,5,8-10,16H,4,6-7,11-12H2,1-2H3,(H,26,30).
What are the key properties of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 432.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 53155359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).