5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine

C8H6N4O4 — CID 86023507

IUPAC5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C=Cc2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C8H6N4O4/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyUSXVFHBNHGOSSC-UHFFFAOYSA-N
MW222.16 g/mol
LogP1.32
Rot. Bonds3

About 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine

5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86023507) has the molecular formula C8H6N4O4 and a molecular weight of 222.16 g/mol. Its IUPAC name is 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID86023507
Molecular FormulaC8H6N4O4
Molecular Weight222.16 g/mol
Exact Mass222.04
IUPAC Name5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C=Cc2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C8H6N4O4/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11)
InChIKeyUSXVFHBNHGOSSC-UHFFFAOYSA-N
XLogP1.32
TPSA121.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

3-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 23274283
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262
2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
CID 23274017
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 16796370
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenanthro[9,10-d][1,3]oxazole
CID 177256679

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine (CID 86023507) is 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(C=Cc2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is USXVFHBNHGOSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4/c9-8-11-10-6(16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,11).
What are the key properties of 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine?
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 222.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86023507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).