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

C23H21FN4O3 — CID 75527148

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)N(C)c3cccc(C)c3)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-15-6-4-7-17(12-15)27(2)21(29)14-28-11-5-8-19(28)23-25-22(26-31-23)16-9-10-20(30-3)18(24)13-16/h4-13H,14H2,1-3H3
InChIKeyBTJRPIPRYSRAQO-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.32
Rot. Bonds6

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

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide (PubChem CID 75527148) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
PubChem CID75527148
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)N(C)c3cccc(C)c3)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-15-6-4-7-17(12-15)27(2)21(29)14-28-11-5-8-19(28)23-25-22(26-31-23)16-9-10-20(30-3)18(24)13-16/h4-13H,14H2,1-3H3
InChIKeyBTJRPIPRYSRAQO-UHFFFAOYSA-N
XLogP4.32
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
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-methyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide (CID 75527148) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-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-methyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)N(C)c3cccc(C)c3)n2)cc1F.
What is the InChIKey of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The InChIKey is BTJRPIPRYSRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-15-6-4-7-17(12-15)27(2)21(29)14-28-11-5-8-19(28)23-25-22(26-31-23)16-9-10-20(30-3)18(24)13-16/h4-13H,14H2,1-3H3.
What are the key properties of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 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-methyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 75527148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).