5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine

C8H8N4O — CID 65417275

IUPAC5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1cccc(-c2nc(N)no2)c1
InChIInChI=1S/C8H8N4O/c9-6-3-1-2-5(4-6)7-11-8(10)12-13-7/h1-4H,9H2,(H2,10,12)
InChIKeyOEXOAEHNEBOBRR-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.90
Rot. Bonds1

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

5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65417275) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
PubChem CID65417275
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1cccc(-c2nc(N)no2)c1
InChIInChI=1S/C8H8N4O/c9-6-3-1-2-5(4-6)7-11-8(10)12-13-7/h1-4H,9H2,(H2,10,12)
InChIKeyOEXOAEHNEBOBRR-UHFFFAOYSA-N
XLogP0.90
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine (CID 65417275) is 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine is Nc1cccc(-c2nc(N)no2)c1.
What is the InChIKey of 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is OEXOAEHNEBOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-6-3-1-2-5(4-6)7-11-8(10)12-13-7/h1-4H,9H2,(H2,10,12).
What are the key properties of 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine?
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 176.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65417275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).