3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

C13H8BrFN2O2 — CID 43336050

IUPAC3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1cccc(F)c1
InChIInChI=1S/C13H8BrFN2O2/c14-10-5-4-9(18-10)12-11(13(16)19-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2
InChIKeyQNNFXFOACDWVBS-UHFFFAOYSA-N
MW323.12 g/mol
LogP4.09
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43336050) has the molecular formula C13H8BrFN2O2 and a molecular weight of 323.12 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43336050
Molecular FormulaC13H8BrFN2O2
Molecular Weight323.12 g/mol
Exact Mass321.98
IUPAC Name3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1cccc(F)c1
InChIInChI=1S/C13H8BrFN2O2/c14-10-5-4-9(18-10)12-11(13(16)19-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2
InChIKeyQNNFXFOACDWVBS-UHFFFAOYSA-N
XLogP4.09
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine 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 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (CID 43336050) is 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)o2)c1-c1cccc(F)c1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is QNNFXFOACDWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2/c14-10-5-4-9(18-10)12-11(13(16)19-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2.
What are the key properties of 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 323.12 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).