N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide

C11H6N4O6 — CID 3611292

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6N4O6/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h1-5H,(H,12,14,16)
InChIKeyZCMFVTPQOUSAJV-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.08
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 3611292) has the molecular formula C11H6N4O6 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID3611292
Molecular FormulaC11H6N4O6
Molecular Weight290.19 g/mol
Exact Mass290.03
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6N4O6/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h1-5H,(H,12,14,16)
InChIKeyZCMFVTPQOUSAJV-UHFFFAOYSA-N
XLogP2.08
TPSA137.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 3611292) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is ZCMFVTPQOUSAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O6/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h1-5H,(H,12,14,16).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3611292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).