2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine

C23H24F4N4O2 — CID 142679914

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
SMILESFc1ccc(N2CCN(CCNCc3cc(-c4ccc(OC(F)(F)F)cc4)no3)CC2)cc1
InChIInChI=1S/C23H24F4N4O2/c24-18-3-5-19(6-4-18)31-13-11-30(12-14-31)10-9-28-16-21-15-22(29-33-21)17-1-7-20(8-2-17)32-23(25,26)27/h1-8,15,28H,9-14,16H2
InChIKeyOLPSDAWKMNRRGX-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.29
Rot. Bonds8

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine (PubChem CID 142679914) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
PubChem CID142679914
Molecular FormulaC23H24F4N4O2
Molecular Weight464.46 g/mol
Exact Mass464.18
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
SMILESFc1ccc(N2CCN(CCNCc3cc(-c4ccc(OC(F)(F)F)cc4)no3)CC2)cc1
InChIInChI=1S/C23H24F4N4O2/c24-18-3-5-19(6-4-18)31-13-11-30(12-14-31)10-9-28-16-21-15-22(29-33-21)17-1-7-20(8-2-17)32-23(25,26)27/h1-8,15,28H,9-14,16H2
InChIKeyOLPSDAWKMNRRGX-UHFFFAOYSA-N
XLogP4.29
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 142679571
N-ethyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679599
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[[3-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 142679409
2-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]methyl]ethanamine
CID 72544196
2-[4-[4-(3,4-dimethoxyphenyl)phenyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 137460082
1-pentyl-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 90698540
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanamine
CID 142679500
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 24617569
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 142679836
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 34995850
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122564163

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine (CID 142679914) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine is Fc1ccc(N2CCN(CCNCc3cc(-c4ccc(OC(F)(F)F)cc4)no3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The InChIKey is OLPSDAWKMNRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c24-18-3-5-19(6-4-18)31-13-11-30(12-14-31)10-9-28-16-21-15-22(29-33-21)17-1-7-20(8-2-17)32-23(25,26)27/h1-8,15,28H,9-14,16H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine has a molecular weight of 464.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 142679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).