2-(4-bromopyrazol-1-yl)-1,3-oxazolidine

C6H8BrN3O — CID 175484231

IUPAC2-(4-bromopyrazol-1-yl)-1,3-oxazolidine
SMILESBrc1cnn(C2NCCO2)c1
InChIInChI=1S/C6H8BrN3O/c7-5-3-9-10(4-5)6-8-1-2-11-6/h3-4,6,8H,1-2H2
InChIKeyGQMMCQGPDDCCEA-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.72
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine

2-(4-bromopyrazol-1-yl)-1,3-oxazolidine (PubChem CID 175484231) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1,3-oxazolidine
PubChem CID175484231
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name2-(4-bromopyrazol-1-yl)-1,3-oxazolidine
SMILESBrc1cnn(C2NCCO2)c1
InChIInChI=1S/C6H8BrN3O/c7-5-3-9-10(4-5)6-8-1-2-11-6/h3-4,6,8H,1-2H2
InChIKeyGQMMCQGPDDCCEA-UHFFFAOYSA-N
XLogP0.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine (CID 175484231) is 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine is Brc1cnn(C2NCCO2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine?
The InChIKey is GQMMCQGPDDCCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c7-5-3-9-10(4-5)6-8-1-2-11-6/h3-4,6,8H,1-2H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine?
2-(4-bromopyrazol-1-yl)-1,3-oxazolidine has a molecular weight of 218.05 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1,3-oxazolidine is sourced from PubChem (CID 175484231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).