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

C18H24FN5O2S — CID 55851465

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H24FN5O2S/c1-14-21-17(22-26-14)12-27-13-18(25)20-6-7-23-8-10-24(11-9-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3,(H,20,25)
InChIKeyGKQSLUFFZSKHHD-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.69
Rot. Bonds8

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (PubChem CID 55851465) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
PubChem CID55851465
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H24FN5O2S/c1-14-21-17(22-26-14)12-27-13-18(25)20-6-7-23-8-10-24(11-9-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3,(H,20,25)
InChIKeyGKQSLUFFZSKHHD-UHFFFAOYSA-N
XLogP1.69
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34993025
3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide
CID 55793071
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 110620977
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]propanamide
CID 55960365
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869220
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (CID 55851465) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)no1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is GKQSLUFFZSKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-14-21-17(22-26-14)12-27-13-18(25)20-6-7-23-8-10-24(11-9-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3,(H,20,25).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55851465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).