6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

C19H19NO3S — CID 18795522

IUPAC6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccs2)CO1
InChIInChI=1S/C19H19NO3S/c1-13-16(14-8-5-4-6-9-14)18(22)20(12-23-13)19(2,3)17(21)15-10-7-11-24-15/h4-11H,12H2,1-3H3
InChIKeyBXTGGHBEXDFEID-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.96
Rot. Bonds4

About 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795522) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795522
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccs2)CO1
InChIInChI=1S/C19H19NO3S/c1-13-16(14-8-5-4-6-9-14)18(22)20(12-23-13)19(2,3)17(21)15-10-7-11-24-15/h4-11H,12H2,1-3H3
InChIKeyBXTGGHBEXDFEID-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (CID 18795522) is 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)c2cccs2)CO1.
What is the InChIKey of 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is BXTGGHBEXDFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-13-16(14-8-5-4-6-9-14)18(22)20(12-23-13)19(2,3)17(21)15-10-7-11-24-15/h4-11H,12H2,1-3H3.
What are the key properties of 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 341.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).