3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine

C10H9BrN2O2 — CID 82092711

IUPAC3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccccc2Br)no1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-10(12)15-13-7/h1-5H,6,12H2
InChIKeyUOUPALOWVNWJHV-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine

3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine (PubChem CID 82092711) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine
PubChem CID82092711
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccccc2Br)no1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-10(12)15-13-7/h1-5H,6,12H2
InChIKeyUOUPALOWVNWJHV-UHFFFAOYSA-N
XLogP2.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine (CID 82092711) is 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine is Nc1cc(COc2ccccc2Br)no1.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine?
The InChIKey is UOUPALOWVNWJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-10(12)15-13-7/h1-5H,6,12H2.
What are the key properties of 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine?
3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine has a molecular weight of 269.10 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82092711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).