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

C12H13BrN2O2 — CID 82135072

IUPAC2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(-c2ncoc2CCN)cc1Br
InChIInChI=1S/C12H13BrN2O2/c1-16-10-3-2-8(6-9(10)13)12-11(4-5-14)17-7-15-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGPPKONBISLSHJA-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.61
Rot. Bonds4

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

2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 82135072) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID82135072
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(-c2ncoc2CCN)cc1Br
InChIInChI=1S/C12H13BrN2O2/c1-16-10-3-2-8(6-9(10)13)12-11(4-5-14)17-7-15-12/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGPPKONBISLSHJA-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

[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[4-(4-ethoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 94685630
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 141261474
4-(2-aminoethyl)-5-(3-bromo-4-methoxyphenyl)-2-methyl-1H-pyrazol-3-one
CID 84606664
3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
CID 112559397

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine (CID 82135072) is 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine is COc1ccc(-c2ncoc2CCN)cc1Br.
What is the InChIKey of 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is GPPKONBISLSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-16-10-3-2-8(6-9(10)13)12-11(4-5-14)17-7-15-12/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine?
2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-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-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82135072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).