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

C11H4Cl2N4O5S — CID 43972849

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H4Cl2N4O5S/c12-6-3-4(8(13)23-6)10-15-16-11(22-10)14-9(18)5-1-2-7(21-5)17(19)20/h1-3H,(H,14,16,18)
InChIKeyZLWLILOXYYDIPG-UHFFFAOYSA-N
MW375.15 g/mol
LogP3.86
Rot. Bonds4

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

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 43972849) has the molecular formula C11H4Cl2N4O5S and a molecular weight of 375.15 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID43972849
Molecular FormulaC11H4Cl2N4O5S
Molecular Weight375.15 g/mol
Exact Mass373.93
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H4Cl2N4O5S/c12-6-3-4(8(13)23-6)10-15-16-11(22-10)14-9(18)5-1-2-7(21-5)17(19)20/h1-3H,(H,14,16,18)
InChIKeyZLWLILOXYYDIPG-UHFFFAOYSA-N
XLogP3.86
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 53.86
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-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 43972849) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is ZLWLILOXYYDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2N4O5S/c12-6-3-4(8(13)23-6)10-15-16-11(22-10)14-9(18)5-1-2-7(21-5)17(19)20/h1-3H,(H,14,16,18).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 375.15 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 43972849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).