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

C20H21FN4O2 — CID 53155331

IUPAC2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12-10-17(20-24-23-19(27-20)14-4-3-5-14)13(2)25(12)11-18(26)22-16-8-6-15(21)7-9-16/h6-10,14H,3-5,11H2,1-2H3,(H,22,26)
InChIKeyLFDMHNDXQDWHSW-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.20
Rot. Bonds5

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

2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53155331) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53155331
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12-10-17(20-24-23-19(27-20)14-4-3-5-14)13(2)25(12)11-18(26)22-16-8-6-15(21)7-9-16/h6-10,14H,3-5,11H2,1-2H3,(H,22,26)
InChIKeyLFDMHNDXQDWHSW-UHFFFAOYSA-N
XLogP4.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 53155359
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-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 121116680
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53155544
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
5-cyclobutyl-1-[2-(4-fluoroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935481
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 53155385

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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide (CID 53155331) is 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide is Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LFDMHNDXQDWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-10-17(20-24-23-19(27-20)14-4-3-5-14)13(2)25(12)11-18(26)22-16-8-6-15(21)7-9-16/h6-10,14H,3-5,11H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 4.20, 5 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53155331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).