5-(furan-3-yl)-1,2,4-oxadiazol-3-amine

C6H5N3O2 — CID 63691895

IUPAC5-(furan-3-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccoc2)n1
InChIInChI=1S/C6H5N3O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H,(H2,7,9)
InChIKeyRUYVXCLJDZJMTB-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.91
Rot. Bonds1

About 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine

5-(furan-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 63691895) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID63691895
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-(furan-3-yl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccoc2)n1
InChIInChI=1S/C6H5N3O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H,(H2,7,9)
InChIKeyRUYVXCLJDZJMTB-UHFFFAOYSA-N
XLogP0.91
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine (CID 63691895) is 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2ccoc2)n1.
What is the InChIKey of 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is RUYVXCLJDZJMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H,(H2,7,9).
What are the key properties of 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine?
5-(furan-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 151.12 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63691895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).