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

C23H21FN4O3 — CID 75527051

IUPACN-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1)c1ccccc1
InChIInChI=1S/C23H21FN4O3/c1-3-28(17-8-5-4-6-9-17)21(29)15-27-13-7-10-19(27)23-25-22(26-31-23)16-11-12-20(30-2)18(24)14-16/h4-14H,3,15H2,1-2H3
InChIKeyKFVVJWUFKGTDBT-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.41
Rot. Bonds7

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

N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide (PubChem CID 75527051) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide
PubChem CID75527051
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1)c1ccccc1
InChIInChI=1S/C23H21FN4O3/c1-3-28(17-8-5-4-6-9-17)21(29)15-27-13-7-10-19(27)23-25-22(26-31-23)16-11-12-20(30-2)18(24)14-16/h4-14H,3,15H2,1-2H3
InChIKeyKFVVJWUFKGTDBT-UHFFFAOYSA-N
XLogP4.41
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide (CID 75527051) is N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide?
The InChIKey is KFVVJWUFKGTDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-28(17-8-5-4-6-9-17)21(29)15-27-13-7-10-19(27)23-25-22(26-31-23)16-11-12-20(30-2)18(24)14-16/h4-14H,3,15H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide?
N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide has a molecular weight of 420.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 75527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).