5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one

C20H14FNO4S — CID 1082744

IUPAC5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC
InChIInChI=1S/C20H14FNO4S/c1-24-15-8-7-11(9-16(15)25-2)13-10-27-19-17(13)20(23)26-18(22-19)12-5-3-4-6-14(12)21/h3-10H,1-2H3
InChIKeyYIZNYBHCGKMSHI-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.74
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one

5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1082744) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1082744
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC
InChIInChI=1S/C20H14FNO4S/c1-24-15-8-7-11(9-16(15)25-2)13-10-27-19-17(13)20(23)26-18(22-19)12-5-3-4-6-14(12)21/h3-10H,1-2H3
InChIKeyYIZNYBHCGKMSHI-UHFFFAOYSA-N
XLogP4.74
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1082744) is 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one is COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is YIZNYBHCGKMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c1-24-15-8-7-11(9-16(15)25-2)13-10-27-19-17(13)20(23)26-18(22-19)12-5-3-4-6-14(12)21/h3-10H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one?
5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 383.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).