1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone

C6H7BrN2O2 — CID 84684260

IUPAC1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1coc(Br)n1
InChIInChI=1S/C6H7BrN2O2/c1-8-2-5(10)4-3-11-6(7)9-4/h3,8H,2H2,1H3
InChIKeyGIMVCIMKLXBSFC-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.84
Rot. Bonds3

About 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone

1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone (PubChem CID 84684260) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone
PubChem CID84684260
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1coc(Br)n1
InChIInChI=1S/C6H7BrN2O2/c1-8-2-5(10)4-3-11-6(7)9-4/h3,8H,2H2,1H3
InChIKeyGIMVCIMKLXBSFC-UHFFFAOYSA-N
XLogP0.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone (CID 84684260) is 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone is CNCC(=O)c1coc(Br)n1.
What is the InChIKey of 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone?
The InChIKey is GIMVCIMKLXBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-8-2-5(10)4-3-11-6(7)9-4/h3,8H,2H2,1H3.
What are the key properties of 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone?
1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone has a molecular weight of 219.04 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84684260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).