2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide

C22H19FN4O3 — CID 75527074

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C)n2)cc1F
InChIInChI=1S/C22H19FN4O3/c1-14-6-3-4-7-17(14)24-20(28)13-27-11-5-8-18(27)22-25-21(26-30-22)15-9-10-19(29-2)16(23)12-15/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyADRPYNHSHUJGHK-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.30
Rot. Bonds6

About 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 75527074) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID75527074
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C)n2)cc1F
InChIInChI=1S/C22H19FN4O3/c1-14-6-3-4-7-17(14)24-20(28)13-27-11-5-8-18(27)22-25-21(26-30-22)15-9-10-19(29-2)16(23)12-15/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyADRPYNHSHUJGHK-UHFFFAOYSA-N
XLogP4.30
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide (CID 75527074) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C)n2)cc1F.
What is the InChIKey of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is ADRPYNHSHUJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-14-6-3-4-7-17(14)24-20(28)13-27-11-5-8-18(27)22-25-21(26-30-22)15-9-10-19(29-2)16(23)12-15/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 406.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 75527074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).