5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

C7H7Br2N3O2 — CID 114692672

IUPAC5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2nc(Br)cc2Br)O1
InChIInChI=1S/C7H7Br2N3O2/c8-5-1-6(9)12(11-5)3-4-2-10-7(13)14-4/h1,4H,2-3H2,(H,10,13)
InChIKeyUCBQEHHTHDXJID-UHFFFAOYSA-N
MW324.96 g/mol
LogP1.52
Rot. Bonds2

About 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 114692672) has the molecular formula C7H7Br2N3O2 and a molecular weight of 324.96 g/mol. Its IUPAC name is 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID114692672
Molecular FormulaC7H7Br2N3O2
Molecular Weight324.96 g/mol
Exact Mass322.89
IUPAC Name5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2nc(Br)cc2Br)O1
InChIInChI=1S/C7H7Br2N3O2/c8-5-1-6(9)12(11-5)3-4-2-10-7(13)14-4/h1,4H,2-3H2,(H,10,13)
InChIKeyUCBQEHHTHDXJID-UHFFFAOYSA-N
XLogP1.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.96
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 114692672) is 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2nc(Br)cc2Br)O1.
What is the InChIKey of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UCBQEHHTHDXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O2/c8-5-1-6(9)12(11-5)3-4-2-10-7(13)14-4/h1,4H,2-3H2,(H,10,13).
What are the key properties of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 324.96 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dibromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 114692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).