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

C4H5BrN2O — CID 2763221

IUPAC(3-bromo-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2
InChIKeyLCFSQWLCIUITOH-UHFFFAOYSA-N
MW177.00 g/mol
LogP0.90
Rot. Bonds1

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

(3-bromo-1,2-oxazol-5-yl)methanamine (PubChem CID 2763221) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is (3-bromo-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)methanamine
PubChem CID2763221
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name(3-bromo-1,2-oxazol-5-yl)methanamine
SMILESNCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2
InChIKeyLCFSQWLCIUITOH-UHFFFAOYSA-N
XLogP0.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)methanamine (CID 2763221) is (3-bromo-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)methanamine is NCc1cc(Br)no1.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)methanamine?
The InChIKey is LCFSQWLCIUITOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2.
What are the key properties of (3-bromo-1,2-oxazol-5-yl)methanamine?
(3-bromo-1,2-oxazol-5-yl)methanamine has a molecular weight of 177.00 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 2763221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).