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

C19H22N4O2 — CID 53154165

IUPAC2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1noc(-c2c(C)cc(C)n2CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H22N4O2/c1-5-16-21-19(25-22-16)18-13(3)10-14(4)23(18)11-17(24)20-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyUPHVSZBRLWTRIM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 53154165) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID53154165
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1noc(-c2c(C)cc(C)n2CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H22N4O2/c1-5-16-21-19(25-22-16)18-13(3)10-14(4)23(18)11-17(24)20-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyUPHVSZBRLWTRIM-UHFFFAOYSA-N
XLogP3.66
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 53154189
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53141444
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
CID 53091158
ethyl 2,5-dimethyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 8006583
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide (CID 53154165) is 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide is CCc1noc(-c2c(C)cc(C)n2CC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is UPHVSZBRLWTRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-16-21-19(25-22-16)18-13(3)10-14(4)23(18)11-17(24)20-15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24).
What are the key properties of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide?
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53154165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).