5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

C7H8BrN3O2 — CID 61029091

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(Br)cn2)O1
InChIInChI=1S/C7H8BrN3O2/c8-5-1-10-11(3-5)4-6-2-9-7(12)13-6/h1,3,6H,2,4H2,(H,9,12)
InChIKeyOZTGLJCUVSDILC-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.75
Rot. Bonds2

About 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 61029091) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID61029091
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(Br)cn2)O1
InChIInChI=1S/C7H8BrN3O2/c8-5-1-10-11(3-5)4-6-2-9-7(12)13-6/h1,3,6H,2,4H2,(H,9,12)
InChIKeyOZTGLJCUVSDILC-UHFFFAOYSA-N
XLogP0.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 61029091) is 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(Br)cn2)O1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is OZTGLJCUVSDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-5-1-10-11(3-5)4-6-2-9-7(12)13-6/h1,3,6H,2,4H2,(H,9,12).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 246.06 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 61029091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).