5-benzyl-1,3,4-oxadiazol-2-amine

C9H9N3O — CID 2756634

IUPAC5-benzyl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C9H9N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyUEHXUDSFIIVUNO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds2

About 5-benzyl-1,3,4-oxadiazol-2-amine

5-benzyl-1,3,4-oxadiazol-2-amine (PubChem CID 2756634) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-benzyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-1,3,4-oxadiazol-2-amine
PubChem CID2756634
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-benzyl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C9H9N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyUEHXUDSFIIVUNO-UHFFFAOYSA-N
XLogP1.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-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-benzyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-1,3,4-oxadiazol-2-amine (CID 2756634) is 5-benzyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-1,3,4-oxadiazol-2-amine?
The InChIKey is UEHXUDSFIIVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12).
What are the key properties of 5-benzyl-1,3,4-oxadiazol-2-amine?
5-benzyl-1,3,4-oxadiazol-2-amine has a molecular weight of 175.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2756634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).