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

C₁₇H₁₅NO₄CAS 869478-12-6297.31 g/mol

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Properties

Molecular formula: C₁₇H₁₅NO₄
Molar mass: 297.31 g/mol
Exact mass: 297.1001 Da
logP: 3.32Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

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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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 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-137 % similar Hydroquinone dibenzyl ether621-91-035 % similar 4-(Benzyloxy)benzoic acid1486-51-735 % similar Olodaterol868049-49-434 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-734 % similar

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

Same formula

Fmoc-gly-oh29022-11-5

Elsewhere

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