N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

C14H17BrN2O3 — CID 115370252

IUPACN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccc(Br)cc2OC)o1
InChIInChI=1S/C14H17BrN2O3/c1-18-6-5-16-9-14-17-8-13(20-14)11-4-3-10(15)7-12(11)19-2/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyGMOUXHRJMKWXCQ-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.85
Rot. Bonds7

About N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 115370252) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID115370252
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC NameN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccc(Br)cc2OC)o1
InChIInChI=1S/C14H17BrN2O3/c1-18-6-5-16-9-14-17-8-13(20-14)11-4-3-10(15)7-12(11)19-2/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyGMOUXHRJMKWXCQ-UHFFFAOYSA-N
XLogP2.85
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(4-bromo-2-methoxyphenyl)-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

Related Compounds

N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181474
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114018757
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[[5-(2-methoxy-4-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 104785126
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181372
N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65178890
2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107975816
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (CID 115370252) is N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ncc(-c2ccc(Br)cc2OC)o1.
What is the InChIKey of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is GMOUXHRJMKWXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-18-6-5-16-9-14-17-8-13(20-14)11-4-3-10(15)7-12(11)19-2/h3-4,7-8,16H,5-6,9H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 341.21 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115370252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).