[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine

C10H8Br2N2O — CID 166597486

IUPAC[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2cc(Br)ccc2Br)no1
InChIInChI=1S/C10H8Br2N2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)15-14-10/h1-4H,5,13H2
InChIKeySVONSZKUOACDNG-UHFFFAOYSA-N
MW332.00 g/mol
LogP3.33
Rot. Bonds2

About [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine

[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 166597486) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID166597486
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2cc(Br)ccc2Br)no1
InChIInChI=1S/C10H8Br2N2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)15-14-10/h1-4H,5,13H2
InChIKeySVONSZKUOACDNG-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine (CID 166597486) is [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine is NCc1cc(-c2cc(Br)ccc2Br)no1.
What is the InChIKey of [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is SVONSZKUOACDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c11-6-1-2-9(12)8(3-6)10-4-7(5-13)15-14-10/h1-4H,5,13H2.
What are the key properties of [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine?
[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 332.00 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 166597486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).