2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C23H28FN5O2 — CID 53155538

IUPAC2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C23H28FN5O2/c1-15(2)27-9-11-28(12-10-27)21(30)14-29-16(3)13-20(17(29)4)23-26-25-22(31-23)18-5-7-19(24)8-6-18/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyJTHOEELPNWBACJ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.51
Rot. Bonds5

About 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 53155538) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID53155538
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C23H28FN5O2/c1-15(2)27-9-11-28(12-10-27)21(30)14-29-16(3)13-20(17(29)4)23-26-25-22(31-23)18-5-7-19(24)8-6-18/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyJTHOEELPNWBACJ-UHFFFAOYSA-N
XLogP3.51
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone 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-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-piperidin-1-ylethanone
CID 53155542
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53155438
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098283
N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155523
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 53155466
N-[(2,4-difluorophenyl)methyl]-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155528
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 53155572
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
N-[(2S)-butan-2-yl]-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 95098288
N-[(2R)-butan-2-yl]-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 95098287
ethyl 4-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 2155722
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53155331

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 53155538) is 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is JTHOEELPNWBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-15(2)27-9-11-28(12-10-27)21(30)14-29-16(3)13-20(17(29)4)23-26-25-22(31-23)18-5-7-19(24)8-6-18/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 425.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53155538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).