4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine

C13H8BrN3O4 — CID 43560884

IUPAC4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc([N+](=O)[O-])o2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrN3O4/c14-8-3-1-2-7(6-8)11-12(16-21-13(11)15)9-4-5-10(20-9)17(18)19/h1-6H,15H2
InChIKeyQJAZPHXZGFHIDG-UHFFFAOYSA-N
MW350.13 g/mol
LogP3.85
Rot. Bonds3

About 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine

4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine (PubChem CID 43560884) has the molecular formula C13H8BrN3O4 and a molecular weight of 350.13 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
PubChem CID43560884
Molecular FormulaC13H8BrN3O4
Molecular Weight350.13 g/mol
Exact Mass348.97
IUPAC Name4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc([N+](=O)[O-])o2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrN3O4/c14-8-3-1-2-7(6-8)11-12(16-21-13(11)15)9-4-5-10(20-9)17(18)19/h1-6H,15H2
InChIKeyQJAZPHXZGFHIDG-UHFFFAOYSA-N
XLogP3.85
TPSA108.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-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

Related Compounds

4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
CID 154119758
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801823
3-(5-methylfuran-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 43158036
3-(5-bromofuran-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
CID 61496477

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine (CID 43560884) is 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc([N+](=O)[O-])o2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine?
The InChIKey is QJAZPHXZGFHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O4/c14-8-3-1-2-7(6-8)11-12(16-21-13(11)15)9-4-5-10(20-9)17(18)19/h1-6H,15H2.
What are the key properties of 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine has a molecular weight of 350.13 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).