[1,3]oxazolo[5,4-d][1,3]oxazole

C4H2N2O2 — CID 59600546

IUPAC[1,3]oxazolo[5,4-d][1,3]oxazole
SMILESc1nc2ocnc2o1
InChIInChI=1S/C4H2N2O2/c1-5-3-4(7-1)6-2-8-3/h1-2H
InChIKeyCFZWJJYKHSHYLL-UHFFFAOYSA-N
MW110.07 g/mol
LogP0.82
Rot. Bonds

About [1,3]oxazolo[5,4-d][1,3]oxazole

[1,3]oxazolo[5,4-d][1,3]oxazole (PubChem CID 59600546) has the molecular formula C4H2N2O2 and a molecular weight of 110.07 g/mol. Its IUPAC name is [1,3]oxazolo[5,4-d][1,3]oxazole.

Molecular Properties

Compound Name[1,3]oxazolo[5,4-d][1,3]oxazole
PubChem CID59600546
Molecular FormulaC4H2N2O2
Molecular Weight110.07 g/mol
Exact Mass110.01
IUPAC Name[1,3]oxazolo[5,4-d][1,3]oxazole
SMILESc1nc2ocnc2o1
InChIInChI=1S/C4H2N2O2/c1-5-3-4(7-1)6-2-8-3/h1-2H
InChIKeyCFZWJJYKHSHYLL-UHFFFAOYSA-N
XLogP0.82
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.07
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[5,4-d][1,3]oxazole?
The IUPAC name of [1,3]oxazolo[5,4-d][1,3]oxazole (CID 59600546) is [1,3]oxazolo[5,4-d][1,3]oxazole.
What is the SMILES notation for [1,3]oxazolo[5,4-d][1,3]oxazole?
The canonical SMILES for [1,3]oxazolo[5,4-d][1,3]oxazole is c1nc2ocnc2o1.
What is the InChIKey of [1,3]oxazolo[5,4-d][1,3]oxazole?
The InChIKey is CFZWJJYKHSHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O2/c1-5-3-4(7-1)6-2-8-3/h1-2H.
What are the key properties of [1,3]oxazolo[5,4-d][1,3]oxazole?
[1,3]oxazolo[5,4-d][1,3]oxazole has a molecular weight of 110.07 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[5,4-d][1,3]oxazole is sourced from PubChem (CID 59600546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).