N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C12H13BrN2O — CID 65288314

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C12H13BrN2O/c1-2-14-7-9-8-16-12(15-9)10-5-3-4-6-11(10)13/h3-6,8,14H,2,7H2,1H3
InChIKeyFNBGPYXEYYAIPP-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.21
Rot. Bonds4

About N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 65288314) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID65288314
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C12H13BrN2O/c1-2-14-7-9-8-16-12(15-9)10-5-3-4-6-11(10)13/h3-6,8,14H,2,7H2,1H3
InChIKeyFNBGPYXEYYAIPP-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 65288314) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2ccccc2Br)n1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is FNBGPYXEYYAIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-14-7-9-8-16-12(15-9)10-5-3-4-6-11(10)13/h3-6,8,14H,2,7H2,1H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 281.15 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65288314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).