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

C23H21FN4O3 — CID 75527040

IUPAC2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NCCc3ccccc3)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-30-20-10-9-17(14-18(20)24)22-26-23(31-27-22)19-8-5-13-28(19)15-21(29)25-12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3,(H,25,29)
InChIKeyQFVYLLPYQCNSKN-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.71
Rot. Bonds8

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

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 75527040) 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-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID75527040
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-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NCCc3ccccc3)n2)cc1F
InChIInChI=1S/C23H21FN4O3/c1-30-20-10-9-17(14-18(20)24)22-26-23(31-27-22)19-8-5-13-28(19)15-21(29)25-12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3,(H,25,29)
InChIKeyQFVYLLPYQCNSKN-UHFFFAOYSA-N
XLogP3.71
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.71
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-phenylethyl)acetamide?
The IUPAC name of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide (CID 75527040) is 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)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-phenylethyl)acetamide?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)NCCc3ccccc3)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-phenylethyl)acetamide?
The InChIKey is QFVYLLPYQCNSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-30-20-10-9-17(14-18(20)24)22-26-23(31-27-22)19-8-5-13-28(19)15-21(29)25-12-11-16-6-3-2-4-7-16/h2-10,13-14H,11-12,15H2,1H3,(H,25,29).
What are the key properties of 2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide?
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.71, 8 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-phenylethyl)acetamide is sourced from PubChem (CID 75527040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).