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

C16H19NO4 — CID 65155065

IUPAC6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1OC(C)C(C(=O)c2ccc3c(c2)NC(=O)CO3)C1C
InChIInChI=1S/C16H19NO4/c1-8-9(2)21-10(3)15(8)16(19)11-4-5-13-12(6-11)17-14(18)7-20-13/h4-6,8-10,15H,7H2,1-3H3,(H,17,18)
InChIKeySUZXVXGXHXUYGC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.26
Rot. Bonds2

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

6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 65155065) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID65155065
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1OC(C)C(C(=O)c2ccc3c(c2)NC(=O)CO3)C1C
InChIInChI=1S/C16H19NO4/c1-8-9(2)21-10(3)15(8)16(19)11-4-5-13-12(6-11)17-14(18)7-20-13/h4-6,8-10,15H,7H2,1-3H3,(H,17,18)
InChIKeySUZXVXGXHXUYGC-UHFFFAOYSA-N
XLogP2.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 116918543
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
6-(2-cyclopropylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 83154072
6-(2,2-dichloroacetyl)-4H-1,4-benzoxazin-3-one
CID 116827168
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one (CID 65155065) is 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one is CC1OC(C)C(C(=O)c2ccc3c(c2)NC(=O)CO3)C1C.
What is the InChIKey of 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is SUZXVXGXHXUYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-8-9(2)21-10(3)15(8)16(19)11-4-5-13-12(6-11)17-14(18)7-20-13/h4-6,8-10,15H,7H2,1-3H3,(H,17,18).
What are the key properties of 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one?
6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 289.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 65155065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).