N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide

C15H8N4O5S — CID 16801956

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H8N4O5S/c20-13(11-5-6-12(25-11)19(21)22)16-15-18-17-14(24-15)10-7-8-3-1-2-4-9(8)23-10/h1-7H,(H,16,18,20)
InChIKeyUSTSWWYOKREJDZ-UHFFFAOYSA-N
MW356.32 g/mol
LogP3.70
Rot. Bonds4

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

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 16801956) has the molecular formula C15H8N4O5S and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID16801956
Molecular FormulaC15H8N4O5S
Molecular Weight356.32 g/mol
Exact Mass356.02
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H8N4O5S/c20-13(11-5-6-12(25-11)19(21)22)16-15-18-17-14(24-15)10-7-8-3-1-2-4-9(8)23-10/h1-7H,(H,16,18,20)
InChIKeyUSTSWWYOKREJDZ-UHFFFAOYSA-N
XLogP3.70
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 53.70
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-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 16801956) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is USTSWWYOKREJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O5S/c20-13(11-5-6-12(25-11)19(21)22)16-15-18-17-14(24-15)10-7-8-3-1-2-4-9(8)23-10/h1-7H,(H,16,18,20).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 356.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 16801956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).