chempirical

2-(2-Benzoxazolyl)malondialdehyde

C10H7NO3CAS 40071-07-6189.17 g/mol

Open in Covalent MOL file
NOOO
Aldehyde

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
logP
1.31Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

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
40071-07-6
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C=O)C=O
InChIKey
MEERYQZEXZMOGC-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-5-7(6-13)10-11-8-3-1-2-4-9(8)14-10/h1-7H

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Work with 2-(2-Benzoxazolyl)malondialdehyde

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

2-Piperidin-4-yl-benzooxazole51784-03-350 % similar 2-Phenylbenzoxazole833-50-146 % similar 4,4'-Bis(2-benzoxazolyl)stilbene1533-45-544 % similar 2-Ethynyl-1,3-benzoxazole40176-79-243 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-543 % similar 2-Mercaptobenzoxazole2382-96-943 % similar 2(3H)-Benzoxazolone59-49-443 % similar 2-Chlorobenzoxazole615-18-943 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9

Elsewhere

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