1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate

C11H16N4O3 — CID 174470269

IUPAC1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)c1ccc(N=[N+]=[N-])o1
InChIInChI=1S/C11H16N4O3/c1-7(17-10(16)13-11(2,3)4)8-5-6-9(18-8)14-15-12/h5-7H,1-4H3,(H,13,16)
InChIKeyKKNWXPITAMREHB-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.81
Rot. Bonds3

About 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate

1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate (PubChem CID 174470269) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate
PubChem CID174470269
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)c1ccc(N=[N+]=[N-])o1
InChIInChI=1S/C11H16N4O3/c1-7(17-10(16)13-11(2,3)4)8-5-6-9(18-8)14-15-12/h5-7H,1-4H3,(H,13,16)
InChIKeyKKNWXPITAMREHB-UHFFFAOYSA-N
XLogP3.81
TPSA100.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate?
The IUPAC name of 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate (CID 174470269) is 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate?
The canonical SMILES for 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate is CC(OC(=O)NC(C)(C)C)c1ccc(N=[N+]=[N-])o1.
What is the InChIKey of 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate?
The InChIKey is KKNWXPITAMREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(17-10(16)13-11(2,3)4)8-5-6-9(18-8)14-15-12/h5-7H,1-4H3,(H,13,16).
What are the key properties of 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate?
1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate has a molecular weight of 252.27 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azidofuran-2-yl)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 174470269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).