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

C11H13N3O4 — CID 65181239

IUPACN-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C11H13N3O4/c1-3-12-7(2)11-13-6-9(18-11)8-4-5-10(17-8)14(15)16/h4-7,12H,3H2,1-2H3
InChIKeyQLUWCRWIXHJXQY-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.51
Rot. Bonds5

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

N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181239) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181239
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C11H13N3O4/c1-3-12-7(2)11-13-6-9(18-11)8-4-5-10(17-8)14(15)16/h4-7,12H,3H2,1-2H3
InChIKeyQLUWCRWIXHJXQY-UHFFFAOYSA-N
XLogP2.51
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.51
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 N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181239) is N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine is CCNC(C)c1ncc(-c2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is QLUWCRWIXHJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-3-12-7(2)11-13-6-9(18-11)8-4-5-10(17-8)14(15)16/h4-7,12H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 251.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).