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

C13H7FN4O5 — CID 4549834

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H7FN4O5/c14-8-3-1-7(2-4-8)12-16-17-13(23-12)15-11(19)9-5-6-10(22-9)18(20)21/h1-6H,(H,15,17,19)
InChIKeyVELLMUOYDMBARD-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.63
Rot. Bonds4

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 4549834) has the molecular formula C13H7FN4O5 and a molecular weight of 318.22 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID4549834
Molecular FormulaC13H7FN4O5
Molecular Weight318.22 g/mol
Exact Mass318.04
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H7FN4O5/c14-8-3-1-7(2-4-8)12-16-17-13(23-12)15-11(19)9-5-6-10(22-9)18(20)21/h1-6H,(H,15,17,19)
InChIKeyVELLMUOYDMBARD-UHFFFAOYSA-N
XLogP2.63
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.63
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 N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 4549834) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is VELLMUOYDMBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O5/c14-8-3-1-7(2-4-8)12-16-17-13(23-12)15-11(19)9-5-6-10(22-9)18(20)21/h1-6H,(H,15,17,19).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 318.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 4549834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).