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

C8H7N3O — CID 2305446

IUPAC5-phenyl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccccc2)n1
InChIInChI=1S/C8H7N3O/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyWEDNOTOHJOGLIK-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.32
Rot. Bonds1

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

5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 2305446) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID2305446
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-phenyl-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccccc2)n1
InChIInChI=1S/C8H7N3O/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyWEDNOTOHJOGLIK-UHFFFAOYSA-N
XLogP1.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-1,2,4-oxadiazol-3-amine (CID 2305446) is 5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-1,2,4-oxadiazol-3-amine is Nc1noc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WEDNOTOHJOGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11).
What are the key properties of 5-phenyl-1,2,4-oxadiazol-3-amine?
5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 161.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 2305446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).