3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine

C25H28F4N4O — CID 142679489

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccc(F)cc2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C25H28F4N4O/c1-31(11-4-12-32-13-15-33(16-14-32)20-9-7-19(26)8-10-20)18-21-17-24(30-34-21)22-5-2-3-6-23(22)25(27,28)29/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyDDDMHLRKVZHWOP-UHFFFAOYSA-N
MW476.52 g/mol
LogP5.14
Rot. Bonds8

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (PubChem CID 142679489) has the molecular formula C25H28F4N4O and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
PubChem CID142679489
Molecular FormulaC25H28F4N4O
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccc(F)cc2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C25H28F4N4O/c1-31(11-4-12-32-13-15-33(16-14-32)20-9-7-19(26)8-10-20)18-21-17-24(30-34-21)22-5-2-3-6-23(22)25(27,28)29/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyDDDMHLRKVZHWOP-UHFFFAOYSA-N
XLogP5.14
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679569
N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
CID 142679739
N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 142679761
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 142679823
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 66575751
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 142679517
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
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 142679571
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 142679762
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 142679452
[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 66576539
1-[3-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl-methylamino]propyl]-4-phenylpiperidine-4-carbonitrile
CID 142679559

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (CID 142679489) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is CN(CCCN1CCN(c2ccc(F)cc2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The InChIKey is DDDMHLRKVZHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O/c1-31(11-4-12-32-13-15-33(16-14-32)20-9-7-19(26)8-10-20)18-21-17-24(30-34-21)22-5-2-3-6-23(22)25(27,28)29/h2-3,5-10,17H,4,11-16,18H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine has a molecular weight of 476.52 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 142679489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).