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

C5H7BrN2O — CID 53407331

IUPAC2-(3-bromo-1,2-oxazol-5-yl)ethanamine
SMILESNCCc1cc(Br)no1
InChIInChI=1S/C5H7BrN2O/c6-5-3-4(1-2-7)9-8-5/h3H,1-2,7H2
InChIKeyQEIHHMYEMPGRHM-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.94
Rot. Bonds2

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

2-(3-bromo-1,2-oxazol-5-yl)ethanamine (PubChem CID 53407331) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 2-(3-bromo-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-1,2-oxazol-5-yl)ethanamine
PubChem CID53407331
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name2-(3-bromo-1,2-oxazol-5-yl)ethanamine
SMILESNCCc1cc(Br)no1
InChIInChI=1S/C5H7BrN2O/c6-5-3-4(1-2-7)9-8-5/h3H,1-2,7H2
InChIKeyQEIHHMYEMPGRHM-UHFFFAOYSA-N
XLogP0.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)ethanamine (CID 53407331) is 2-(3-bromo-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-1,2-oxazol-5-yl)ethanamine is NCCc1cc(Br)no1.
What is the InChIKey of 2-(3-bromo-1,2-oxazol-5-yl)ethanamine?
The InChIKey is QEIHHMYEMPGRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c6-5-3-4(1-2-7)9-8-5/h3H,1-2,7H2.
What are the key properties of 2-(3-bromo-1,2-oxazol-5-yl)ethanamine?
2-(3-bromo-1,2-oxazol-5-yl)ethanamine has a molecular weight of 191.03 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 53407331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).