8-[(2R)-2-Oxiranyl]-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one

C17H15NO4CAS 869478-12-6297.31 g/mol

Open in Covalent MOL file
OHNOOO
EpoxideEther

Properties

Molecular formula
C17H15NO4
Molar mass
297.31 g/mol
Exact mass
297.1001 Da
logP
3.32Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
869478-12-6
SMILES
OC1=Nc2cc(OCc3ccccc3)cc([C@@H]3CO3)c2OC1
InChIKey
QKZJSZZMIRDNNQ-HNNXBMFYSA-N
InChI
InChI=1S/C17H15NO4/c19-16-10-22-17-13(15-9-21-15)6-12(7-14(17)18-16)20-8-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,18,19)/t15-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2H-1,4-Benzoxazin-3(4H)-one, 8-[(2R)-2-oxiranyl]-6-(phenylmethoxy)-
  • 2H-1,4-Benzoxazin-3(4H)-one, 8-(2R)-oxiranyl-6-(phenylmethoxy)-
  • (R)-6-Benzyloxy-8-(oxiran-2-yl)-4H-benzo[1,4]oxazin-3-one
  • 8-(2R)-Oxiranyl-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one

Work with 8-[(2R)-2-Oxiranyl]-6-(phenylmethoxy)-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

3,5-Bis(phenylmethoxy)benzoic acid28917-43-339 % similar 5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-439 % similar 2H-1,4-Benzoxazin-3(4H)-one5466-88-638 % similar 3,5-Dibenzyloxybenzyl alcohol24131-31-537 % similar (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-137 % similar 1,3-Dibenzyloxybenzene3769-42-435 % similar Hydroquinone dibenzyl ether621-91-035 % similar Benzyl phenyl ether946-80-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-gly-OH29022-11-5 8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one869478-09-1

Elsewhere

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