3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole

C6H8N2O3 — CID 141186788

IUPAC3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole
SMILESC1=CN(ON2C=COC2)CO1
InChIInChI=1S/C6H8N2O3/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-4H,5-6H2
InChIKeyNXRZKGGVMMFNQG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.35
Rot. Bonds2

About 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole

3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole (PubChem CID 141186788) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole
PubChem CID141186788
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole
SMILESC1=CN(ON2C=COC2)CO1
InChIInChI=1S/C6H8N2O3/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-4H,5-6H2
InChIKeyNXRZKGGVMMFNQG-UHFFFAOYSA-N
XLogP0.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole?
The IUPAC name of 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole (CID 141186788) is 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole.
What is the SMILES notation for 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole?
The canonical SMILES for 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole is C1=CN(ON2C=COC2)CO1.
What is the InChIKey of 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole?
The InChIKey is NXRZKGGVMMFNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-4H,5-6H2.
What are the key properties of 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole?
3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole has a molecular weight of 156.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-1,3-oxazol-3-yloxy)-2H-1,3-oxazole is sourced from PubChem (CID 141186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).