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

C17H20FN3O2 — CID 53181907

IUPAC2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESCc1noc(C2(NC(=O)Cc3ccc(F)cc3)CCCCC2)n1
InChIInChI=1S/C17H20FN3O2/c1-12-19-16(23-21-12)17(9-3-2-4-10-17)20-15(22)11-13-5-7-14(18)8-6-13/h5-8H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyNJWDJRJSHRMTEM-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.04
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (PubChem CID 53181907) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
PubChem CID53181907
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESCc1noc(C2(NC(=O)Cc3ccc(F)cc3)CCCCC2)n1
InChIInChI=1S/C17H20FN3O2/c1-12-19-16(23-21-12)17(9-3-2-4-10-17)20-15(22)11-13-5-7-14(18)8-6-13/h5-8H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyNJWDJRJSHRMTEM-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (CID 53181907) is 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is Cc1noc(C2(NC(=O)Cc3ccc(F)cc3)CCCCC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The InChIKey is NJWDJRJSHRMTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-19-16(23-21-12)17(9-3-2-4-10-17)20-15(22)11-13-5-7-14(18)8-6-13/h5-8H,2-4,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 53181907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).