1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine

C5H7BrN2O — CID 84662978

IUPAC1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
SMILESCNCc1coc(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-7-2-4-3-9-5(6)8-4/h3,7H,2H2,1H3
InChIKeyWZNBNHREXZKKBF-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.16
Rot. Bonds2

About 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine

1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine (PubChem CID 84662978) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
PubChem CID84662978
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
SMILESCNCc1coc(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-7-2-4-3-9-5(6)8-4/h3,7H,2H2,1H3
InChIKeyWZNBNHREXZKKBF-UHFFFAOYSA-N
XLogP1.16
TPSA38.06 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine (CID 84662978) is 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine is CNCc1coc(Br)n1.
What is the InChIKey of 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine?
The InChIKey is WZNBNHREXZKKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-7-2-4-3-9-5(6)8-4/h3,7H,2H2,1H3.
What are the key properties of 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine?
1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine has a molecular weight of 191.03 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 84662978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).