3-Propionyl-2-benzoxazolinone

C10H9NO3CAS 33388-19-1191.19 g/mol

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ONOO

Properties

Molecular formula
C10H9NO3
Molar mass
191.19 g/mol
Exact mass
191.0582 Da
logP
1.64Crippen estimate
Polar surface area
52.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
33388-19-1
SMILES
CCC(=O)N1C2=CC=CC=C2OC1=O
InChIKey
VBWYZPGRKYRKNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-2-9(12)11-7-5-3-4-6-8(7)14-10(11)13/h3-6H,2H2,1H3

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Work with 3-Propionyl-2-benzoxazolinone

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-Acetyl-2(3H)-benzoxazolone24963-28-862 % similar 3-Methylbenzo[d]oxazol-2(3H)-one21892-80-853 % similar 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid13610-59-845 % similar N-Methylisatoic anhydride10328-92-437 % similar 3-Carbethoxycoumarin1846-76-032 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-932 % similar Propiophenone93-55-032 % similar Benzyl propionate122-63-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 2-Oxindole-6-carboxylic acid methyl ester14192-26-8 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4

Elsewhere

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