N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine

C15H19BrN2O2 — CID 107725754

IUPACN-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H19BrN2O2/c1-4-5-17-8-12-9-19-15(18-12)20-13-6-10(2)14(16)11(3)7-13/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyYDXVXMRNGZIVLH-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.35
Rot. Bonds6

About N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine

N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 107725754) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID107725754
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H19BrN2O2/c1-4-5-17-8-12-9-19-15(18-12)20-13-6-10(2)14(16)11(3)7-13/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyYDXVXMRNGZIVLH-UHFFFAOYSA-N
XLogP4.35
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-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

N-[[2-(3-iodophenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113378029
N-[[2-(4-bromo-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 107725294
N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107170711
N-[[2-(3-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113461101
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81487721
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288324
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
N-[[6-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66466126
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 107725754) is N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(Oc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is YDXVXMRNGZIVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-5-17-8-12-9-19-15(18-12)20-13-6-10(2)14(16)11(3)7-13/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 339.23 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107725754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).