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

C12H9N3O2 — CID 13310480

IUPAC5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H9N3O2/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15)
InChIKeyBPDJCCYITGMHOR-UHFFFAOYSA-N
MW227.22 g/mol
LogP3.07
Rot. Bonds3

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

5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 13310480) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID13310480
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H9N3O2/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15)
InChIKeyBPDJCCYITGMHOR-UHFFFAOYSA-N
XLogP3.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (CID 13310480) is 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is BPDJCCYITGMHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15).
What are the key properties of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 227.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 13310480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).