2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

C16H18F2N4O2 — CID 128981752

IUPAC2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)Cc3ccc(F)cc3F)CCN2C)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-19-16(24-20-10)14-9-22(6-5-21(14)2)15(23)7-11-3-4-12(17)8-13(11)18/h3-4,8,14H,5-7,9H2,1-2H3
InChIKeyIJGXLCBKWNOFAZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.71
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 128981752) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID128981752
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C2CN(C(=O)Cc3ccc(F)cc3F)CCN2C)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-19-16(24-20-10)14-9-22(6-5-21(14)2)15(23)7-11-3-4-12(17)8-13(11)18/h3-4,8,14H,5-7,9H2,1-2H3
InChIKeyIJGXLCBKWNOFAZ-UHFFFAOYSA-N
XLogP1.71
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (CID 128981752) is 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is Cc1noc(C2CN(C(=O)Cc3ccc(F)cc3F)CCN2C)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is IJGXLCBKWNOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-10-19-16(24-20-10)14-9-22(6-5-21(14)2)15(23)7-11-3-4-12(17)8-13(11)18/h3-4,8,14H,5-7,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 336.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 128981752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).