3-(4-bromoanilino)-1,3-oxazolidin-2-one

C9H9BrN2O2 — CID 134332107

IUPAC3-(4-bromoanilino)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2
InChIKeyMEFZKTMLXAZTKY-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.23
Rot. Bonds2

About 3-(4-bromoanilino)-1,3-oxazolidin-2-one

3-(4-bromoanilino)-1,3-oxazolidin-2-one (PubChem CID 134332107) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-1,3-oxazolidin-2-one
PubChem CID134332107
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name3-(4-bromoanilino)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2
InChIKeyMEFZKTMLXAZTKY-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromoanilino)-1,3-oxazolidin-2-one (CID 134332107) is 3-(4-bromoanilino)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromoanilino)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromoanilino)-1,3-oxazolidin-2-one is O=C1OCCN1Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-1,3-oxazolidin-2-one?
The InChIKey is MEFZKTMLXAZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2.
What are the key properties of 3-(4-bromoanilino)-1,3-oxazolidin-2-one?
3-(4-bromoanilino)-1,3-oxazolidin-2-one has a molecular weight of 257.09 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134332107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).