N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride

C12H14BrClN2O — CID 3049281

IUPACN-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C12H13BrN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H
InChIKeyUYIKTWFDICNEEX-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.64
Rot. Bonds4

About N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride

N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 3049281) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID3049281
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C12H13BrN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H
InChIKeyUYIKTWFDICNEEX-UHFFFAOYSA-N
XLogP3.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride 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-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride (CID 3049281) is N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1ncc(-c2ccc(Br)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is UYIKTWFDICNEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O.ClH/c1-2-14-8-12-15-7-11(16-12)9-3-5-10(13)6-4-9;/h3-7,14H,2,8H2,1H3;1H.
What are the key properties of N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 317.61 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3049281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).