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

C13H16N2O3S — CID 130346348

IUPAC2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide
SMILESCC1=C(c2ccsc2)C(=O)N(C(C)(C)C(N)=O)CO1
InChIInChI=1S/C13H16N2O3S/c1-8-10(9-4-5-19-6-9)11(16)15(7-18-8)13(2,3)12(14)17/h4-6H,7H2,1-3H3,(H2,14,17)
InChIKeyCSLVCFJWEOFABX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.56
Rot. Bonds3

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

2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide (PubChem CID 130346348) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide
PubChem CID130346348
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide
SMILESCC1=C(c2ccsc2)C(=O)N(C(C)(C)C(N)=O)CO1
InChIInChI=1S/C13H16N2O3S/c1-8-10(9-4-5-19-6-9)11(16)15(7-18-8)13(2,3)12(14)17/h4-6H,7H2,1-3H3,(H2,14,17)
InChIKeyCSLVCFJWEOFABX-UHFFFAOYSA-N
XLogP1.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide?
The IUPAC name of 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide (CID 130346348) is 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide?
The canonical SMILES for 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide is CC1=C(c2ccsc2)C(=O)N(C(C)(C)C(N)=O)CO1.
What is the InChIKey of 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide?
The InChIKey is CSLVCFJWEOFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-10(9-4-5-19-6-9)11(16)15(7-18-8)13(2,3)12(14)17/h4-6H,7H2,1-3H3,(H2,14,17).
What are the key properties of 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide?
2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide has a molecular weight of 280.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide is sourced from PubChem (CID 130346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).