2H-1,4-Benzoxazin-3(4H)-one

C₈H₇NO₂CAS 5466-88-6149.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇NO₂
Molar mass: 149.15 g/mol
Exact mass: 149.0477 Da
Melting point: 172–173 °C
logP: 1.67Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

5466-88-6

SMILES

OC1=Nc2ccccc2OC1

InChIKey

QRCGFTXRXYMJOS-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)

Weigh it out

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

Names and synonyms

10 names

2H-1,4-Benzoxazin-3-one
2,3-Dihydro-3-oxo-4H-1,4-benzoxazine
4H-Benzo[1,4]oxazin-3-one
3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine
NSC 26354
2H-Benzo[b][1,4]oxazin-3(4H)-one
3,4-Dihydro-1H-benzo[b][1,4]oxazine-3-one
4H-1,4-Benzoxazin-3-one
3,4-Dihydro-2H-1,4-benzoxazin-3-one
2H-1,4-Benzoxazin-3-ol

Work with 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

2H-Pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-09-854 % similar Oxindole59-48-353 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-551 % similar O-Acetoacetanisidide92-15-946 % similar 1,2-Phenylenedioxydiacetic acid5411-14-345 % similar 2H-1,4-Benzothiazin-3(4H)-one5325-20-243 % similar N-(2-Methoxyphenyl)acetamide93-26-541 % similar 2-Chloro-N-(2-fluorophenyl)acetamide347-66-039 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

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