1-(3-bromo-1,2-oxazol-5-yl)ethanamine

C5H7BrN2O — CID 53407111

IUPAC1-(3-bromo-1,2-oxazol-5-yl)ethanamine
SMILESCC(N)c1cc(Br)no1
InChIInChI=1S/C5H7BrN2O/c1-3(7)4-2-5(6)8-9-4/h2-3H,7H2,1H3
InChIKeyHZKRLMLVJBZKET-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.46
Rot. Bonds1

About 1-(3-bromo-1,2-oxazol-5-yl)ethanamine

1-(3-bromo-1,2-oxazol-5-yl)ethanamine (PubChem CID 53407111) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 1-(3-bromo-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-1,2-oxazol-5-yl)ethanamine
PubChem CID53407111
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name1-(3-bromo-1,2-oxazol-5-yl)ethanamine
SMILESCC(N)c1cc(Br)no1
InChIInChI=1S/C5H7BrN2O/c1-3(7)4-2-5(6)8-9-4/h2-3H,7H2,1H3
InChIKeyHZKRLMLVJBZKET-UHFFFAOYSA-N
XLogP1.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)ethanamine (CID 53407111) is 1-(3-bromo-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-1,2-oxazol-5-yl)ethanamine is CC(N)c1cc(Br)no1.
What is the InChIKey of 1-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The InChIKey is HZKRLMLVJBZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-3(7)4-2-5(6)8-9-4/h2-3H,7H2,1H3.
What are the key properties of 1-(3-bromo-1,2-oxazol-5-yl)ethanamine?
1-(3-bromo-1,2-oxazol-5-yl)ethanamine has a molecular weight of 191.03 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 53407111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).