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

C7H8BrN3O2 — CID 131155972

IUPAC5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccc(Br)n2)O1
InChIInChI=1S/C7H8BrN3O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H,9,12)
InChIKeyTURBNZNDFCDOAX-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.75
Rot. Bonds2

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

5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 131155972) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID131155972
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccc(Br)n2)O1
InChIInChI=1S/C7H8BrN3O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H,9,12)
InChIKeyTURBNZNDFCDOAX-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-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 131155972) is 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2ccc(Br)n2)O1.
What is the InChIKey of 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is TURBNZNDFCDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H,9,12).
What are the key properties of 5-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(3-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-[(3-bromopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131155972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).