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

C7H11N3O2 — CID 62213336

IUPAC5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2CCCCO2)o1
InChIInChI=1S/C7H11N3O2/c8-7-10-9-6(12-7)5-3-1-2-4-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyOZVDJDBLFCDKGI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.89
Rot. Bonds1

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

5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 62213336) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID62213336
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2CCCCO2)o1
InChIInChI=1S/C7H11N3O2/c8-7-10-9-6(12-7)5-3-1-2-4-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyOZVDJDBLFCDKGI-UHFFFAOYSA-N
XLogP0.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(oxan-2-yl)-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-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine (CID 62213336) is 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(C2CCCCO2)o1.
What is the InChIKey of 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OZVDJDBLFCDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-7-10-9-6(12-7)5-3-1-2-4-11-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 169.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 62213336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).