5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one

C12H15BrN2O2 — CID 117002429

IUPAC5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)15-7-9(5-6-14)8-17-12(15)16/h1-4,9H,5-8,14H2
InChIKeyQLBUYFXPHVLIRH-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.37
Rot. Bonds3

About 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one

5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one (PubChem CID 117002429) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
PubChem CID117002429
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)15-7-9(5-6-14)8-17-12(15)16/h1-4,9H,5-8,14H2
InChIKeyQLBUYFXPHVLIRH-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one (CID 117002429) is 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one is NCCC1COC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one?
The InChIKey is QLBUYFXPHVLIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)15-7-9(5-6-14)8-17-12(15)16/h1-4,9H,5-8,14H2.
What are the key properties of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one?
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).