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

C13H14Br2N2O — CID 114018757

IUPACN-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-2-5-16-8-13-17-7-12(18-13)10-4-3-9(14)6-11(10)15/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyLZTIZLPKBYMMDF-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.37
Rot. Bonds5

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

N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 114018757) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID114018757
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC NameN-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-2-5-16-8-13-17-7-12(18-13)10-4-3-9(14)6-11(10)15/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyLZTIZLPKBYMMDF-UHFFFAOYSA-N
XLogP4.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65309183
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
3-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 115370252
N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184233
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81478338

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 114018757) is N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is LZTIZLPKBYMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-2-5-16-8-13-17-7-12(18-13)10-4-3-9(14)6-11(10)15/h3-4,6-7,16H,2,5,8H2,1H3.
What are the key properties of N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 374.08 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114018757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).