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

C13H9N3O3S — CID 6049205

IUPAC(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H9N3O3S/c17-11(6-5-9-3-2-8-20-9)14-13-16-15-12(19-13)10-4-1-7-18-10/h1-8H,(H,14,16,17)/b6-5+
InChIKeyGERLXHSHZXTKET-AATRIKPKSA-N
MW287.30 g/mol
LogP3.04
Rot. Bonds4

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

(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6049205) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6049205
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H9N3O3S/c17-11(6-5-9-3-2-8-20-9)14-13-16-15-12(19-13)10-4-1-7-18-10/h1-8H,(H,14,16,17)/b6-5+
InChIKeyGERLXHSHZXTKET-AATRIKPKSA-N
XLogP3.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
CID 4062264
5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4363012
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cyclopropanecarboxamide
CID 4536914
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 4581041
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4245856
2-Furan-2-yl-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 652614
N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104440
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3147355
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4536915
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 5083854
(E)-3-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 5770545

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 6049205) is (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GERLXHSHZXTKET-AATRIKPKSA-N. The full InChI is InChI=1S/C13H9N3O3S/c17-11(6-5-9-3-2-8-20-9)14-13-16-15-12(19-13)10-4-1-7-18-10/h1-8H,(H,14,16,17)/b6-5+.
What are the key properties of (E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 287.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6049205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).