4-Oxazolecarbonitrile

C₄H₂N₂OCAS 55242-84-794.07 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

Weigh it out

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 6,6'-Dicyano-2,2'-bipyridyl4411-83-038 % 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 2-Chloro-5-cyanopyrazine36070-75-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook