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

C13H15BrN2O2 — CID 112742085

IUPAC3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(Br)cc1-c1cnc(CCCN)o1
InChIInChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(14)7-10(11)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyBBSYCYOUSGJMSW-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.00
Rot. Bonds5

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

3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 112742085) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID112742085
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(Br)cc1-c1cnc(CCCN)o1
InChIInChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(14)7-10(11)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyBBSYCYOUSGJMSW-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

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Related Compounds

3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 107994673
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 112742085) is 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is COc1ccc(Br)cc1-c1cnc(CCCN)o1.
What is the InChIKey of 3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is BBSYCYOUSGJMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-17-11-5-4-9(14)7-10(11)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-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 112742085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).