2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide

C20H23FN4O2 — CID 53155596

IUPAC2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)NCC(C)C
InChIInChI=1S/C20H23FN4O2/c1-12(2)10-22-18(26)11-25-13(3)9-17(14(25)4)20-23-19(24-27-20)15-5-7-16(21)8-6-15/h5-9,12H,10-11H2,1-4H3,(H,22,26)
InChIKeyFWTLJEMLMFTPGW-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.73
Rot. Bonds6

About 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide

2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 53155596) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID53155596
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)NCC(C)C
InChIInChI=1S/C20H23FN4O2/c1-12(2)10-22-18(26)11-25-13(3)9-17(14(25)4)20-23-19(24-27-20)15-5-7-16(21)8-6-15/h5-9,12H,10-11H2,1-4H3,(H,22,26)
InChIKeyFWTLJEMLMFTPGW-UHFFFAOYSA-N
XLogP3.73
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)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-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide (CID 53155596) is 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide is Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)NCC(C)C.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is FWTLJEMLMFTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12(2)10-22-18(26)11-25-13(3)9-17(14(25)4)20-23-19(24-27-20)15-5-7-16(21)8-6-15/h5-9,12H,10-11H2,1-4H3,(H,22,26).
What are the key properties of 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53155596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).