2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C9H9Br2NO2 — CID 14403244

IUPAC2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(Br)c(Br)o2)=N1
InChIInChI=1S/C9H9Br2NO2/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3
InChIKeyAPZPWQTWSCICFQ-UHFFFAOYSA-N
MW322.98 g/mol
LogP3.36
Rot. Bonds1

About 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14403244) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14403244
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(Br)c(Br)o2)=N1
InChIInChI=1S/C9H9Br2NO2/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3
InChIKeyAPZPWQTWSCICFQ-UHFFFAOYSA-N
XLogP3.36
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-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-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 14403244) is 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cc(Br)c(Br)o2)=N1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is APZPWQTWSCICFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-9(2)4-13-8(12-9)6-3-5(10)7(11)14-6/h3H,4H2,1-2H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 322.98 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14403244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).