N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide

C17H19F2N5O3 — CID 135103186

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide
SMILESCCN1CCNC(=O)C1CC(=O)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H19F2N5O3/c1-2-24-7-6-20-16(26)12(24)8-14(25)21-9-13-22-17(27-23-13)15-10(18)4-3-5-11(15)19/h3-5,12H,2,6-9H2,1H3,(H,20,26)(H,21,25)
InChIKeyLVOHLANOBBUKCO-UHFFFAOYSA-N
MW379.37 g/mol
LogP0.84
Rot. Bonds6

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide (PubChem CID 135103186) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide
PubChem CID135103186
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide
SMILESCCN1CCNC(=O)C1CC(=O)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H19F2N5O3/c1-2-24-7-6-20-16(26)12(24)8-14(25)21-9-13-22-17(27-23-13)15-10(18)4-3-5-11(15)19/h3-5,12H,2,6-9H2,1H3,(H,20,26)(H,21,25)
InChIKeyLVOHLANOBBUKCO-UHFFFAOYSA-N
XLogP0.84
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide (CID 135103186) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide is CCN1CCNC(=O)C1CC(=O)NCc1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide?
The InChIKey is LVOHLANOBBUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c1-2-24-7-6-20-16(26)12(24)8-14(25)21-9-13-22-17(27-23-13)15-10(18)4-3-5-11(15)19/h3-5,12H,2,6-9H2,1H3,(H,20,26)(H,21,25).
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide has a molecular weight of 379.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 135103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).