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

C21H17NO4S — CID 1206972

IUPAC5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1OC
InChIInChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
InChIKeyGVDZSWDAOUSYSV-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.91
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1206972) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1206972
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1OC
InChIInChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
InChIKeyGVDZSWDAOUSYSV-UHFFFAOYSA-N
XLogP4.91
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one with MolForge

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Related Compounds

Isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874670
Methyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
CID 874645
Ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 718648
Benzyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009752
(3-Methoxyphenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009783
2-(2-fluorophenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1206155
Ethyl 2-amino-4-(3,4,5-trimethoxyphenyl)-3-thiophenecarboxylate
CID 299299
Ethyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)thiophene-3-carboxylate
CID 16784276
Methyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate
CID 1012510
5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1082742
5-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1082744
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 1206154

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1206972) is 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is COc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is GVDZSWDAOUSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one?
5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 379.44 g/mol, XLogP of 4.91, 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-(4-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1206972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).