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

C24H23FN4O2 — CID 95098283

IUPAC2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-15-13-21(24-28-27-23(31-24)19-9-11-20(25)12-10-19)17(3)29(15)14-22(30)26-16(2)18-7-5-4-6-8-18/h4-13,16H,14H2,1-3H3,(H,26,30)/t16-/m0/s1
InChIKeyOQAZIYNYSYQHHG-INIZCTEOSA-N
MW418.47 g/mol
LogP4.84
Rot. Bonds6

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

2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 95098283) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID95098283
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-15-13-21(24-28-27-23(31-24)19-9-11-20(25)12-10-19)17(3)29(15)14-22(30)26-16(2)18-7-5-4-6-8-18/h4-13,16H,14H2,1-3H3,(H,26,30)/t16-/m0/s1
InChIKeyOQAZIYNYSYQHHG-INIZCTEOSA-N
XLogP4.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155523
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
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-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-piperidin-1-ylethanone
CID 53155542
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
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
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2192202
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53155438

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]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 95098283) is 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide is Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is OQAZIYNYSYQHHG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-13-21(24-28-27-23(31-24)19-9-11-20(25)12-10-19)17(3)29(15)14-22(30)26-16(2)18-7-5-4-6-8-18/h4-13,16H,14H2,1-3H3,(H,26,30)/t16-/m0/s1.
What are the key properties of 2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 95098283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).