N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

C21H24FN3O — CID 16566320

IUPACN-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCc1ccc(-c2noc(CNC(c3ccc(F)cc3)C(C)C)n2)cc1
InChIInChI=1S/C21H24FN3O/c1-4-15-5-7-17(8-6-15)21-24-19(26-25-21)13-23-20(14(2)3)16-9-11-18(22)12-10-16/h5-12,14,20,23H,4,13H2,1-3H3
InChIKeyBPWYJLUKTYEVNN-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.93
Rot. Bonds7

About N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 16566320) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID16566320
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCc1ccc(-c2noc(CNC(c3ccc(F)cc3)C(C)C)n2)cc1
InChIInChI=1S/C21H24FN3O/c1-4-15-5-7-17(8-6-15)21-24-19(26-25-21)13-23-20(14(2)3)16-9-11-18(22)12-10-16/h5-12,14,20,23H,4,13H2,1-3H3
InChIKeyBPWYJLUKTYEVNN-UHFFFAOYSA-N
XLogP4.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-fluorophenyl)ethanamine
CID 18088398
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
CID 112815116
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
2-methyl-1-[4-(2-methylpropyl)phenyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 78836201
1-(4-fluorophenyl)-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
CID 46601298
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 55897601
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
CID 8638317

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (CID 16566320) is N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is CCc1ccc(-c2noc(CNC(c3ccc(F)cc3)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is BPWYJLUKTYEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-4-15-5-7-17(8-6-15)21-24-19(26-25-21)13-23-20(14(2)3)16-9-11-18(22)12-10-16/h5-12,14,20,23H,4,13H2,1-3H3.
What are the key properties of N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 353.44 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 16566320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).