2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone

C20H24FN3O3 — CID 91915859

IUPAC2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C20H24FN3O3/c21-17-3-1-2-14(10-17)12-19(25)24-7-4-15(13-24)11-18-22-20(27-23-18)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2
InChIKeyZFFPMUMONHHTBC-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.74
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 91915859) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID91915859
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C20H24FN3O3/c21-17-3-1-2-14(10-17)12-19(25)24-7-4-15(13-24)11-18-22-20(27-23-18)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2
InChIKeyZFFPMUMONHHTBC-UHFFFAOYSA-N
XLogP2.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone (CID 91915859) is 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(Cc2noc(C3CCOCC3)n2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZFFPMUMONHHTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-17-3-1-2-14(10-17)12-19(25)24-7-4-15(13-24)11-18-22-20(27-23-18)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 373.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91915859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).