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

C21H17NO4S — CID 1319712

IUPAC5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCCOc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1
InChIInChI=1S/C21H17NO4S/c1-3-25-14-10-8-13(9-11-14)16-12-27-20-18(16)21(23)26-19(22-20)15-6-4-5-7-17(15)24-2/h4-12H,3H2,1-2H3
InChIKeyAZRSIRQSTAOCMQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.99
Rot. Bonds5

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

5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1319712) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1319712
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCCOc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1
InChIInChI=1S/C21H17NO4S/c1-3-25-14-10-8-13(9-11-14)16-12-27-20-18(16)21(23)26-19(22-20)15-6-4-5-7-17(15)24-2/h4-12H,3H2,1-2H3
InChIKeyAZRSIRQSTAOCMQ-UHFFFAOYSA-N
XLogP4.99
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1319712) is 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is CCOc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is AZRSIRQSTAOCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-3-25-14-10-8-13(9-11-14)16-12-27-20-18(16)21(23)26-19(22-20)15-6-4-5-7-17(15)24-2/h4-12H,3H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 379.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-(2-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1319712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).