3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine

C13H15BrN2O2 — CID 65178654

IUPAC3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(CCCN)o2)cc1Br
InChIInChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(7-10(11)14)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyBKZFHNNYEWXMIX-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.00
Rot. Bonds5

About 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178654) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178654
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(CCCN)o2)cc1Br
InChIInChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(7-10(11)14)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyBKZFHNNYEWXMIX-UHFFFAOYSA-N
XLogP3.00
TPSA61.28 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-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

Related Compounds

5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179184
2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82135072
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178654) is 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is COc1ccc(-c2cnc(CCCN)o2)cc1Br.
What is the InChIKey of 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is BKZFHNNYEWXMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(7-10(11)14)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3.
What are the key properties of 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 311.18 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).