5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one

C20H15NO3S — CID 23965680

IUPAC5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCOc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1
InChIInChI=1S/C20H15NO3S/c1-2-23-15-10-8-13(9-11-15)16-12-25-19-17(16)20(22)24-18(21-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyZFKRAETYANKPDT-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.98
Rot. Bonds4

About 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one

5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 23965680) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID23965680
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCOc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1
InChIInChI=1S/C20H15NO3S/c1-2-23-15-10-8-13(9-11-15)16-12-25-19-17(16)20(22)24-18(21-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyZFKRAETYANKPDT-UHFFFAOYSA-N
XLogP4.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one (CID 23965680) is 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one is CCOc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is ZFKRAETYANKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-2-23-15-10-8-13(9-11-15)16-12-25-19-17(16)20(22)24-18(21-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one?
5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 349.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-phenylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 23965680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).