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

C16H15NO2S — CID 10684544

IUPAC2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESCC(C)(C)c1ccc(-c2nc3ccsc3c(=O)o2)cc1
InChIInChI=1S/C16H15NO2S/c1-16(2,3)11-6-4-10(5-7-11)14-17-12-8-9-20-13(12)15(18)19-14/h4-9H,1-3H3
InChIKeyKFSWWQKQLFMWOG-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.21
Rot. Bonds1

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

2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one (PubChem CID 10684544) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one
PubChem CID10684544
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESCC(C)(C)c1ccc(-c2nc3ccsc3c(=O)o2)cc1
InChIInChI=1S/C16H15NO2S/c1-16(2,3)11-6-4-10(5-7-11)14-17-12-8-9-20-13(12)15(18)19-14/h4-9H,1-3H3
InChIKeyKFSWWQKQLFMWOG-UHFFFAOYSA-N
XLogP4.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one (CID 10684544) is 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one is CC(C)(C)c1ccc(-c2nc3ccsc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The InChIKey is KFSWWQKQLFMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-16(2,3)11-6-4-10(5-7-11)14-17-12-8-9-20-13(12)15(18)19-14/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one has a molecular weight of 285.37 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)thieno[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 10684544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).