1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C11H12N4O4 — CID 61354502

IUPAC1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc([N+](=O)[O-])o3)n2)CCCC1
InChIInChI=1S/C11H12N4O4/c12-11(5-1-2-6-11)10-13-9(19-14-10)7-3-4-8(18-7)15(16)17/h3-4H,1-2,5-6,12H2
InChIKeyUEGDLSRLRDDDJJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.97
Rot. Bonds3

About 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 61354502) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID61354502
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc([N+](=O)[O-])o3)n2)CCCC1
InChIInChI=1S/C11H12N4O4/c12-11(5-1-2-6-11)10-13-9(19-14-10)7-3-4-8(18-7)15(16)17/h3-4H,1-2,5-6,12H2
InChIKeyUEGDLSRLRDDDJJ-UHFFFAOYSA-N
XLogP1.97
TPSA121.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 61354502) is 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3ccc([N+](=O)[O-])o3)n2)CCCC1.
What is the InChIKey of 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is UEGDLSRLRDDDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c12-11(5-1-2-6-11)10-13-9(19-14-10)7-3-4-8(18-7)15(16)17/h3-4H,1-2,5-6,12H2.
What are the key properties of 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 264.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 61354502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).