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

C8H9N3O2 — CID 16768120

IUPAC5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(N)o2)c(C)o1
InChIInChI=1S/C8H9N3O2/c1-4-3-6(5(2)12-4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyYAKHQTKBLTVDPB-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.53
Rot. Bonds1

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

5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 16768120) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID16768120
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(N)o2)c(C)o1
InChIInChI=1S/C8H9N3O2/c1-4-3-6(5(2)12-4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyYAKHQTKBLTVDPB-UHFFFAOYSA-N
XLogP1.53
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine (CID 16768120) is 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine is Cc1cc(-c2nnc(N)o2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YAKHQTKBLTVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-3-6(5(2)12-4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 179.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 16768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).