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

C13H15BrN2O2 — CID 113296266

IUPACN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc(Br)cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-15-7-11-13(18-8-16-11)10-5-4-9(14)6-12(10)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyIIUWRCKQYCNOFP-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.22
Rot. Bonds5

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

N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 113296266) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID113296266
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc(Br)cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-15-7-11-13(18-8-16-11)10-5-4-9(14)6-12(10)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyIIUWRCKQYCNOFP-UHFFFAOYSA-N
XLogP3.22
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine 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-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 113296266) is N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1-c1ccc(Br)cc1OC.
What is the InChIKey of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is IIUWRCKQYCNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-15-7-11-13(18-8-16-11)10-5-4-9(14)6-12(10)17-2/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 311.18 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).