6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one

C18H20N2O4 — CID 28816433

IUPAC6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)C(C)(C)O2
InChIInChI=1S/C18H20N2O4/c1-10-14(12(3)24-19-10)9-20-15-8-13(11(2)21)6-7-16(15)23-18(4,5)17(20)22/h6-8H,9H2,1-5H3
InChIKeyCMYSZOATODLWMX-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.20
Rot. Bonds3

About 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one

6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one (PubChem CID 28816433) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
PubChem CID28816433
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)C(C)(C)O2
InChIInChI=1S/C18H20N2O4/c1-10-14(12(3)24-19-10)9-20-15-8-13(11(2)21)6-7-16(15)23-18(4,5)17(20)22/h6-8H,9H2,1-5H3
InChIKeyCMYSZOATODLWMX-UHFFFAOYSA-N
XLogP3.20
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82063729
6-acetyl-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 28816456
6-acetyl-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28816425
4-benzyl-6-(2-chloroacetyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28816147
2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 28816522
2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 82022039
4-benzyl-2,2-dimethyl-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 1450828
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461
6-(2-aminopropanoyl)-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 82339908
N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide
CID 42504506
N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide
CID 126645915

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one (CID 28816433) is 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)C(C)(C)O2.
What is the InChIKey of 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is CMYSZOATODLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10-14(12(3)24-19-10)9-20-15-8-13(11(2)21)6-7-16(15)23-18(4,5)17(20)22/h6-8H,9H2,1-5H3.
What are the key properties of 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 328.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 28816433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).