3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one

C7H5BrClN3O2 — CID 132608321

IUPAC3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(Cl)ncc1Br
InChIInChI=1S/C7H5BrClN3O2/c8-4-3-10-6(9)11-5(4)12-1-2-14-7(12)13/h3H,1-2H2
InChIKeyGCOFQPXOIKGYTK-UHFFFAOYSA-N
MW278.49 g/mol
LogP1.85
Rot. Bonds1

About 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one

3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 132608321) has the molecular formula C7H5BrClN3O2 and a molecular weight of 278.49 g/mol. Its IUPAC name is 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID132608321
Molecular FormulaC7H5BrClN3O2
Molecular Weight278.49 g/mol
Exact Mass276.93
IUPAC Name3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(Cl)ncc1Br
InChIInChI=1S/C7H5BrClN3O2/c8-4-3-10-6(9)11-5(4)12-1-2-14-7(12)13/h3H,1-2H2
InChIKeyGCOFQPXOIKGYTK-UHFFFAOYSA-N
XLogP1.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one (CID 132608321) is 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1nc(Cl)ncc1Br.
What is the InChIKey of 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is GCOFQPXOIKGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3O2/c8-4-3-10-6(9)11-5(4)12-1-2-14-7(12)13/h3H,1-2H2.
What are the key properties of 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one?
3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 278.49 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 132608321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).