2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

C20H20FN3O2S — CID 71792131

IUPAC2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NC1(c2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C20H20FN3O2S/c21-16-6-4-5-14(11-16)12-17(25)23-20(8-2-1-3-9-20)19-22-18(24-26-19)15-7-10-27-13-15/h4-7,10-11,13H,1-3,8-9,12H2,(H,23,25)
InChIKeyJAGOSAKRZBAGRX-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (PubChem CID 71792131) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
PubChem CID71792131
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NC1(c2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C20H20FN3O2S/c21-16-6-4-5-14(11-16)12-17(25)23-20(8-2-1-3-9-20)19-22-18(24-26-19)15-7-10-27-13-15/h4-7,10-11,13H,1-3,8-9,12H2,(H,23,25)
InChIKeyJAGOSAKRZBAGRX-UHFFFAOYSA-N
XLogP4.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (CID 71792131) is 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is O=C(Cc1cccc(F)c1)NC1(c2nc(-c3ccsc3)no2)CCCCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The InChIKey is JAGOSAKRZBAGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-16-6-4-5-14(11-16)12-17(25)23-20(8-2-1-3-9-20)19-22-18(24-26-19)15-7-10-27-13-15/h4-7,10-11,13H,1-3,8-9,12H2,(H,23,25).
What are the key properties of 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 71792131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).