1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone

C11H8N4O2 — CID 121223230

IUPAC1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone
SMILESCC(=O)n1nnc2c(-c3ccccc3)noc21
InChIInChI=1S/C11H8N4O2/c1-7(16)15-11-10(12-14-15)9(13-17-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyWRLRJTFWFLTKKI-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.75
Rot. Bonds1

About 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone

1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone (PubChem CID 121223230) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone
PubChem CID121223230
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone
SMILESCC(=O)n1nnc2c(-c3ccccc3)noc21
InChIInChI=1S/C11H8N4O2/c1-7(16)15-11-10(12-14-15)9(13-17-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyWRLRJTFWFLTKKI-UHFFFAOYSA-N
XLogP1.75
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone?
The IUPAC name of 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone (CID 121223230) is 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone?
The canonical SMILES for 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone is CC(=O)n1nnc2c(-c3ccccc3)noc21.
What is the InChIKey of 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone?
The InChIKey is WRLRJTFWFLTKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-7(16)15-11-10(12-14-15)9(13-17-11)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone?
1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone has a molecular weight of 228.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-[1,2]oxazolo[4,5-d]triazol-3-yl)ethanone is sourced from PubChem (CID 121223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).