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

C11H11BrN2O2 — CID 82134755

IUPAC[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2ncoc2CN)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-3-2-7(4-8(9)12)11-10(5-13)16-6-14-11/h2-4,6H,5,13H2,1H3
InChIKeyGOYASGVKEYNOHF-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.57
Rot. Bonds3

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

[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82134755) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
PubChem CID82134755
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2ncoc2CN)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-3-2-7(4-8(9)12)11-10(5-13)16-6-14-11/h2-4,6H,5,13H2,1H3
InChIKeyGOYASGVKEYNOHF-UHFFFAOYSA-N
XLogP2.57
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82135072
[4-(2,4-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82129188
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
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
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
CID 112559397
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
CID 83850499

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine (CID 82134755) is [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine is COc1ccc(-c2ncoc2CN)cc1Br.
What is the InChIKey of [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is GOYASGVKEYNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-15-9-3-2-7(4-8(9)12)11-10(5-13)16-6-14-11/h2-4,6H,5,13H2,1H3.
What are the key properties of [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine?
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 283.12 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82134755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).