chempirical

8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one

C17H15NO4CAS 869478-09-1297.31 g/mol

Open in Covalent MOL file
OONHOO
AmideEtherKetoneLactam

Properties

Molecular formula
C17H15NO4
Molar mass
297.31 g/mol
Exact mass
297.1001 Da
logP
2.80Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
869478-09-1
SMILES
CC(=O)C1=C2C(=CC(=C1)OCC3=CC=CC=C3)NC(=O)CO2
InChIKey
URTYAHMRXXVHKS-UHFFFAOYSA-N
InChI
InChI=1S/C17H15NO4/c1-11(19)14-7-13(21-9-12-5-3-2-4-6-12)8-15-17(14)22-10-16(20)18-15/h2-8H,9-10H2,1H3,(H,18,20)

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Names and synonyms

1 names
  • 8-Acetyl-6-(benzyloxy)-2H-benzo[B][1,4]oxazin-3(4H)-one

Work with 8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-455 % similar 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-253 % similar 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-353 % similar 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-451 % similar 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-050 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-048 % similar 4-Benzyloxyacetophenone54696-05-848 % similar 1-[2-Amino-5-methoxy-4-(phenylmethoxy)phenyl]ethanone75665-73-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-gly-OH29022-11-5 8-[(2R)-2-Oxiranyl]-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one869478-12-6

Elsewhere

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