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

C11H13BrN2O2 — CID 115003408

IUPAC5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccccc2Br)C(=O)O1
InChIInChI=1S/C11H13BrN2O2/c12-9-3-1-2-4-10(9)14-7-8(5-6-13)16-11(14)15/h1-4,8H,5-7,13H2
InChIKeyIZJSNAVVIHQVQN-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.12
Rot. Bonds3

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

5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 115003408) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID115003408
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccccc2Br)C(=O)O1
InChIInChI=1S/C11H13BrN2O2/c12-9-3-1-2-4-10(9)14-7-8(5-6-13)16-11(14)15/h1-4,8H,5-7,13H2
InChIKeyIZJSNAVVIHQVQN-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one (CID 115003408) is 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one is NCCC1CN(c2ccccc2Br)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is IZJSNAVVIHQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-3-1-2-4-10(9)14-7-8(5-6-13)16-11(14)15/h1-4,8H,5-7,13H2.
What are the key properties of 5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one has a molecular weight of 285.14 g/mol, XLogP of 2.12, 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-oxazolidin-2-one is sourced from PubChem (CID 115003408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).