chempirical

4-Oxazolecarbonitrile

C4H2N2OCAS 55242-84-794.07 g/mol

Open in Covalent MOL file
NON
Nitrile

Properties

Molecular formula
C4H2N2O
Molar mass
94.07 g/mol
Exact mass
94.0167 Da
logP
0.55Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
55242-84-7
SMILES
N#Cc1cocn1
InChIKey
UEEBKQWDBWDPKD-UHFFFAOYSA-N
InChI
InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H

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

Names and synonyms

2 names
  • 4-Cyanooxazole
  • 1,3-Oxazole-4-carbonitrile

Work with 4-Oxazolecarbonitrile

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-Cyanopyridine100-70-939 % similar Pyrazinecarbonitrile19847-12-238 % similar 1H-Imidazole-5-carbonitrile57090-88-738 % similar 2,6-Pyridinedicarbonitrile2893-33-637 % similar 4-Methyloxazole693-93-637 % similar 2,4-Pyridinedicarbonitrile29181-50-835 % similar 5-Methyl-2-pyridinecarbonitrile1620-77-534 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-334 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook