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

C6H6N4O2 — CID 63692248

IUPAC5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1oncc1-c1nc(N)no1
InChIInChI=1S/C6H6N4O2/c1-3-4(2-8-11-3)5-9-6(7)10-12-5/h2H,1H3,(H2,7,10)
InChIKeyAGPBBYLSXJZVHA-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.62
Rot. Bonds1

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

5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692248) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
PubChem CID63692248
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1oncc1-c1nc(N)no1
InChIInChI=1S/C6H6N4O2/c1-3-4(2-8-11-3)5-9-6(7)10-12-5/h2H,1H3,(H2,7,10)
InChIKeyAGPBBYLSXJZVHA-UHFFFAOYSA-N
XLogP0.62
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (CID 63692248) is 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is Cc1oncc1-c1nc(N)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is AGPBBYLSXJZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-4(2-8-11-3)5-9-6(7)10-12-5/h2H,1H3,(H2,7,10).
What are the key properties of 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 166.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).