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

C23H21FN4O2 — CID 75527071

IUPAC2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C23H21FN4O2/c1-15(2)18-6-3-4-7-19(18)25-21(29)14-28-13-5-8-20(28)23-26-22(27-30-23)16-9-11-17(24)12-10-16/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyDGEQHZDTXANYLC-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.11
Rot. Bonds6

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

2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 75527071) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID75527071
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C23H21FN4O2/c1-15(2)18-6-3-4-7-19(18)25-21(29)14-28-13-5-8-20(28)23-26-22(27-30-23)16-9-11-17(24)12-10-16/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyDGEQHZDTXANYLC-UHFFFAOYSA-N
XLogP5.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide (CID 75527071) is 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is DGEQHZDTXANYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15(2)18-6-3-4-7-19(18)25-21(29)14-28-13-5-8-20(28)23-26-22(27-30-23)16-9-11-17(24)12-10-16/h3-13,15H,14H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 75527071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).