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

C21H16F2N4O3 — CID 75527147

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(F)c3)n2)cc1F
InChIInChI=1S/C21H16F2N4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/h2-11H,12H2,1H3,(H,24,28)
InChIKeyHAZNRBIYYHHBGD-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-(3-fluorophenyl)acetamide

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 75527147) 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-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID75527147
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-(3-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(F)c3)n2)cc1F
InChIInChI=1S/C21H16F2N4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/h2-11H,12H2,1H3,(H,24,28)
InChIKeyHAZNRBIYYHHBGD-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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-fluorophenyl)acetamide (CID 75527147) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-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-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-fluorophenyl)acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(F)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-(3-fluorophenyl)acetamide?
The InChIKey is HAZNRBIYYHHBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/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-(3-fluorophenyl)acetamide?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(3-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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 75527147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).