N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

C13H15BrN2O2 — CID 65181215

IUPACN-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C13H15BrN2O2/c1-17-7-6-15-9-13-16-8-12(18-13)10-4-2-3-5-11(10)14/h2-5,8,15H,6-7,9H2,1H3
InChIKeyDILDEHVOFUTSDN-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.84
Rot. Bonds6

About N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 65181215) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID65181215
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C13H15BrN2O2/c1-17-7-6-15-9-13-16-8-12(18-13)10-4-2-3-5-11(10)14/h2-5,8,15H,6-7,9H2,1H3
InChIKeyDILDEHVOFUTSDN-UHFFFAOYSA-N
XLogP2.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine 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 N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (CID 65181215) is N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ncc(-c2ccccc2Br)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is DILDEHVOFUTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-17-7-6-15-9-13-16-8-12(18-13)10-4-2-3-5-11(10)14/h2-5,8,15H,6-7,9H2,1H3.
What are the key properties of N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 311.18 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65181215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).