(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

C13H8N4O5S — CID 6269634

IUPAC(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H8N4O5S/c18-10(5-3-8-4-6-11(23-8)17(19)20)14-13-16-15-12(22-13)9-2-1-7-21-9/h1-7H,(H,14,16,18)/b5-3+
InChIKeyFUDSOUWWCWJAAD-HWKANZROSA-N
MW332.30 g/mol
LogP2.95
Rot. Bonds5

About (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide (PubChem CID 6269634) has the molecular formula C13H8N4O5S and a molecular weight of 332.30 g/mol. Its IUPAC name is (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
PubChem CID6269634
Molecular FormulaC13H8N4O5S
Molecular Weight332.30 g/mol
Exact Mass332.02
IUPAC Name(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H8N4O5S/c18-10(5-3-8-4-6-11(23-8)17(19)20)14-13-16-15-12(22-13)9-2-1-7-21-9/h1-7H,(H,14,16,18)/b5-3+
InChIKeyFUDSOUWWCWJAAD-HWKANZROSA-N
XLogP2.95
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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 (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide (CID 6269634) is (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The InChIKey is FUDSOUWWCWJAAD-HWKANZROSA-N. The full InChI is InChI=1S/C13H8N4O5S/c18-10(5-3-8-4-6-11(23-8)17(19)20)14-13-16-15-12(22-13)9-2-1-7-21-9/h1-7H,(H,14,16,18)/b5-3+.
What are the key properties of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide has a molecular weight of 332.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 6269634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).