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

C13H8N4O5S — CID 5097777

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc([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)
InChIKeyFUDSOUWWCWJAAD-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.95
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide (PubChem CID 5097777) has the molecular formula C13H8N4O5S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
PubChem CID5097777
Molecular FormulaC13H8N4O5S
Molecular Weight332.30 g/mol
Exact Mass332.02
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc([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)
InChIKeyFUDSOUWWCWJAAD-UHFFFAOYSA-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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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 5083854
5-bromo-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-2-thiophenecarboxamide
CID 3611482
5-nitro-N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104446
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2816975
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
CID 4050556
2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41340595
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2104545
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 3611292
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5083842
(E)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(thiophen-2-yl)acrylamide
CID 6049205
1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-(thiophen-2-yl)urea
CID 45550962

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide (CID 5097777) is 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 N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is O=C(C=Cc1ccc([N+](=O)[O-])s1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
The InChIKey is FUDSOUWWCWJAAD-UHFFFAOYSA-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).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide?
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 N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 5097777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).