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

C21H16F2N4O3 — CID 75527110

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3F)n2)cc1F
InChIInChI=1S/C21H16F2N4O3/c1-29-18-9-8-13(11-15(18)23)20-25-21(30-26-20)17-7-4-10-27(17)12-19(28)24-16-6-3-2-5-14(16)22/h2-11H,12H2,1H3,(H,24,28)
InChIKeyLSZVKQFJIJOHBP-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.13
Rot. Bonds6

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

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 75527110) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID75527110
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3F)n2)cc1F
InChIInChI=1S/C21H16F2N4O3/c1-29-18-9-8-13(11-15(18)23)20-25-21(30-26-20)17-7-4-10-27(17)12-19(28)24-16-6-3-2-5-14(16)22/h2-11H,12H2,1H3,(H,24,28)
InChIKeyLSZVKQFJIJOHBP-UHFFFAOYSA-N
XLogP4.13
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.13
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-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (CID 75527110) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)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-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3F)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-fluorophenyl)acetamide?
The InChIKey is LSZVKQFJIJOHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-29-18-9-8-13(11-15(18)23)20-25-21(30-26-20)17-7-4-10-27(17)12-19(28)24-16-6-3-2-5-14(16)22/h2-11H,12H2,1H3,(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-fluorophenyl)acetamide?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 410.38 g/mol, XLogP of 4.13, 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-fluorophenyl)acetamide is sourced from PubChem (CID 75527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).