6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

C16H15NO4 — CID 43463658

IUPAC6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C(=O)c2ccc3c(c2)NC(=O)C(C)O3)c(C)o1
InChIInChI=1S/C16H15NO4/c1-8-6-12(9(2)20-8)15(18)11-4-5-14-13(7-11)17-16(19)10(3)21-14/h4-7,10H,1-3H3,(H,17,19)
InChIKeyZYACPXCVOGMGPP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.85
Rot. Bonds2

About 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 43463658) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID43463658
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C(=O)c2ccc3c(c2)NC(=O)C(C)O3)c(C)o1
InChIInChI=1S/C16H15NO4/c1-8-6-12(9(2)20-8)15(18)11-4-5-14-13(7-11)17-16(19)10(3)21-14/h4-7,10H,1-3H3,(H,17,19)
InChIKeyZYACPXCVOGMGPP-UHFFFAOYSA-N
XLogP2.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
6-(4,5-dimethylthiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 65237117
6-(3-bromobenzoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43340877
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
6-(5-chlorothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 62276294
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 43463658) is 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is Cc1cc(C(=O)c2ccc3c(c2)NC(=O)C(C)O3)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is ZYACPXCVOGMGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-8-6-12(9(2)20-8)15(18)11-4-5-14-13(7-11)17-16(19)10(3)21-14/h4-7,10H,1-3H3,(H,17,19).
What are the key properties of 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 285.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43463658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).