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

C23H21FN4O3 — CID 75527107

IUPACN-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-14-6-8-18(15(2)11-14)25-21(29)13-28-10-4-5-19(28)23-26-22(27-31-23)16-7-9-20(30-3)17(24)12-16/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyYFRPFNMKAUHEAU-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.61
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527107) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527107
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-14-6-8-18(15(2)11-14)25-21(29)13-28-10-4-5-19(28)23-26-22(27-31-23)16-7-9-20(30-3)17(24)12-16/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyYFRPFNMKAUHEAU-UHFFFAOYSA-N
XLogP4.61
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527107) is N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1F.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is YFRPFNMKAUHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-6-8-18(15(2)11-14)25-21(29)13-28-10-4-5-19(28)23-26-22(27-31-23)16-7-9-20(30-3)17(24)12-16/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).