1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine

C9H9N3O4 — CID 65178850

IUPAC1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C9H9N3O4/c1-5(10)9-11-4-7(16-9)6-2-3-8(15-6)12(13)14/h2-5H,10H2,1H3
InChIKeyUOENXRUQTJZXRS-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.86
Rot. Bonds3

About 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine

1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178850) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178850
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C9H9N3O4/c1-5(10)9-11-4-7(16-9)6-2-3-8(15-6)12(13)14/h2-5H,10H2,1H3
InChIKeyUOENXRUQTJZXRS-UHFFFAOYSA-N
XLogP1.86
TPSA108.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178850) is 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(-c2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is UOENXRUQTJZXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-5(10)9-11-4-7(16-9)6-2-3-8(15-6)12(13)14/h2-5H,10H2,1H3.
What are the key properties of 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 223.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).