2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one

C12H6FNO2S — CID 1485387

IUPAC2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccc(F)cc2)nc2ccsc12
InChIInChI=1S/C12H6FNO2S/c13-8-3-1-7(2-4-8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H
InChIKeyWAESZBXXLFRQBF-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.06
Rot. Bonds1

About 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one

2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one (PubChem CID 1485387) has the molecular formula C12H6FNO2S and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one
PubChem CID1485387
Molecular FormulaC12H6FNO2S
Molecular Weight247.25 g/mol
Exact Mass247.01
IUPAC Name2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccc(F)cc2)nc2ccsc12
InChIInChI=1S/C12H6FNO2S/c13-8-3-1-7(2-4-8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H
InChIKeyWAESZBXXLFRQBF-UHFFFAOYSA-N
XLogP3.06
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one (CID 1485387) is 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one is O=c1oc(-c2ccc(F)cc2)nc2ccsc12.
What is the InChIKey of 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one?
The InChIKey is WAESZBXXLFRQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO2S/c13-8-3-1-7(2-4-8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H.
What are the key properties of 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one?
2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one has a molecular weight of 247.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)thieno[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 1485387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).