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

C13H14Br2N2O — CID 107941921

IUPAC3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-16-6-2-3-13-17-8-12(18-13)10-5-4-9(14)7-11(10)15/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyYWQBOEIZNQDQOZ-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.02
Rot. Bonds5

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

3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 107941921) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID107941921
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C13H14Br2N2O/c1-16-6-2-3-13-17-8-12(18-13)10-5-4-9(14)7-11(10)15/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyYWQBOEIZNQDQOZ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 107941921) is 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is YWQBOEIZNQDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-16-6-2-3-13-17-8-12(18-13)10-5-4-9(14)7-11(10)15/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 374.08 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 107941921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).