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

C21H23FN4O2 — CID 53155523

IUPACN-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NC1CCCC1
InChIInChI=1S/C21H23FN4O2/c1-13-11-18(14(2)26(13)12-19(27)23-17-5-3-4-6-17)21-25-24-20(28-21)15-7-9-16(22)10-8-15/h7-11,17H,3-6,12H2,1-2H3,(H,23,27)
InChIKeyOUFQNECOKWSTHQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.02
Rot. Bonds5

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

N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide (PubChem CID 53155523) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
PubChem CID53155523
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NC1CCCC1
InChIInChI=1S/C21H23FN4O2/c1-13-11-18(14(2)26(13)12-19(27)23-17-5-3-4-6-17)21-25-24-20(28-21)15-7-9-16(22)10-8-15/h7-11,17H,3-6,12H2,1-2H3,(H,23,27)
InChIKeyOUFQNECOKWSTHQ-UHFFFAOYSA-N
XLogP4.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-piperidin-1-ylethanone
CID 53155542
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]-N-[(1S)-1-phenylethyl]acetamide
CID 95098283
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53155331
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
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4804307
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 53155466
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157478
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide (CID 53155523) is N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide is Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The InChIKey is OUFQNECOKWSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-11-18(14(2)26(13)12-19(27)23-17-5-3-4-6-17)21-25-24-20(28-21)15-7-9-16(22)10-8-15/h7-11,17H,3-6,12H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide has a molecular weight of 382.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide is sourced from PubChem (CID 53155523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).