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

C12H13BrN2O2 — CID 82308142

IUPAC2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(Br)cc1-c1oncc1CCN
InChIInChI=1S/C12H13BrN2O2/c1-16-11-3-2-9(13)6-10(11)12-8(4-5-14)7-15-17-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyADHWUJUHVMRVSL-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.61
Rot. Bonds4

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

2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 82308142) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
PubChem CID82308142
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(Br)cc1-c1oncc1CCN
InChIInChI=1S/C12H13BrN2O2/c1-16-11-3-2-9(13)6-10(11)12-8(4-5-14)7-15-17-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyADHWUJUHVMRVSL-UHFFFAOYSA-N
XLogP2.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 112742090
5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178030
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82295318
N-[[5-(5-bromo-2-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 82974007
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine (CID 82308142) is 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine is COc1ccc(Br)cc1-c1oncc1CCN.
What is the InChIKey of 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is ADHWUJUHVMRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-16-11-3-2-9(13)6-10(11)12-8(4-5-14)7-15-17-12/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine has a molecular weight of 297.15 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82308142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).