2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C24H22N4O4 — CID 75527156

IUPAC2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1
InChIInChI=1S/C24H22N4O4/c1-14-9-15(2)22(16(3)10-14)25-21(29)12-28-8-4-5-18(28)24-26-23(27-32-24)17-6-7-19-20(11-17)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,25,29)
InChIKeyGLVPCOWDFYMSBO-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.50
Rot. Bonds5

About 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 75527156) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID75527156
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1
InChIInChI=1S/C24H22N4O4/c1-14-9-15(2)22(16(3)10-14)25-21(29)12-28-8-4-5-18(28)24-26-23(27-32-24)17-6-7-19-20(11-17)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,25,29)
InChIKeyGLVPCOWDFYMSBO-UHFFFAOYSA-N
XLogP4.50
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
N-[2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]ethyl]-2-chlorobenzamide
CID 91888391
N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53367203
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17253978
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
CID 56770475
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 53367267
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 75527156) is 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1.
What is the InChIKey of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GLVPCOWDFYMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-9-15(2)22(16(3)10-14)25-21(29)12-28-8-4-5-18(28)24-26-23(27-32-24)17-6-7-19-20(11-17)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,25,29).
What are the key properties of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 430.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 75527156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).