2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole

C8H11BrN2O — CID 117259539

IUPAC2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole
SMILESCN1CCC(c2cnc(Br)o2)C1
InChIInChI=1S/C8H11BrN2O/c1-11-3-2-6(5-11)7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3
InChIKeyVDDFPNXASLNNEN-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.86
Rot. Bonds1

About 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole

2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole (PubChem CID 117259539) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole
PubChem CID117259539
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole
SMILESCN1CCC(c2cnc(Br)o2)C1
InChIInChI=1S/C8H11BrN2O/c1-11-3-2-6(5-11)7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3
InChIKeyVDDFPNXASLNNEN-UHFFFAOYSA-N
XLogP1.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole (CID 117259539) is 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole is CN1CCC(c2cnc(Br)o2)C1.
What is the InChIKey of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole?
The InChIKey is VDDFPNXASLNNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-11-3-2-6(5-11)7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole?
2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole has a molecular weight of 231.09 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole is sourced from PubChem (CID 117259539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).