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

C21H17NO5S — CID 1082742

IUPAC5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)o2)cc1
InChIInChI=1S/C21H17NO5S/c1-24-14-7-4-12(5-8-14)19-22-20-18(21(23)27-19)15(11-28-20)13-6-9-16(25-2)17(10-13)26-3/h4-11H,1-3H3
InChIKeySCXYXXRLDKCPNR-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.61
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1082742) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1082742
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)o2)cc1
InChIInChI=1S/C21H17NO5S/c1-24-14-7-4-12(5-8-14)19-22-20-18(21(23)27-19)15(11-28-20)13-6-9-16(25-2)17(10-13)26-3/h4-11H,1-3H3
InChIKeySCXYXXRLDKCPNR-UHFFFAOYSA-N
XLogP4.61
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1082742) is 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is COc1ccc(-c2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)o2)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is SCXYXXRLDKCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c1-24-14-7-4-12(5-8-14)19-22-20-18(21(23)27-19)15(11-28-20)13-6-9-16(25-2)17(10-13)26-3/h4-11H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 395.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1082742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).