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

C19H12ClNO3S — CID 1038088

IUPAC2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4Cl)oc(=O)c23)cc1
InChIInChI=1S/C19H12ClNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOJMPPNSKBJYLAJ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.25
Rot. Bonds3

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

2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 1038088) has the molecular formula C19H12ClNO3S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID1038088
Molecular FormulaC19H12ClNO3S
Molecular Weight369.83 g/mol
Exact Mass369.02
IUPAC Name2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4Cl)oc(=O)c23)cc1
InChIInChI=1S/C19H12ClNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOJMPPNSKBJYLAJ-UHFFFAOYSA-N
XLogP5.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one (CID 1038088) is 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is COc1ccc(-c2csc3nc(-c4ccccc4Cl)oc(=O)c23)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is OJMPPNSKBJYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3S/c1-23-12-8-6-11(7-9-12)14-10-25-18-16(14)19(22)24-17(21-18)13-4-2-3-5-15(13)20/h2-10H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one?
2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 369.83 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 1038088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).