Trimethyloxazole
Properties
- Molecular formula
- C6H9NO
- Molar mass
- 111.14 g/mol
- Exact mass
- 111.0684 Da
- Density
- 0.9566 g/mL (at 25 °C)
- Boiling point
- 134 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation71.8% of notifiers
- H319 Causes serious eye irritation74.2% of notifiers
- H335 May cause respiratory irritation74.2% of notifiers
Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
20662-84-4SMILES
Cc1nc(C)c(C)o1InChIKey
ZRLDBDZSLLGDOX-UHFFFAOYSA-NInChI
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Oxazole, 2,4,5-trimethyl-
- Oxazole, trimethyl-
- 2,4,5-Trimethyloxazole
- 2,4,5-Trimethyl-1,3-oxazole
Work with Trimethyloxazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-442 % similar
2-Methylbenzoxazole95-21-638 % similar
2,5,6-Trimethylbenzoxazole19219-98-837 % similar
4-Bromo-3,5-dimethylisoxazole10558-25-536 % similar
Tetramethylpyrazine1124-11-435 % similar
2,5-Dimethylbenzoxazole5676-58-434 % similar
2-Methylnaphth[2,3-d]oxazole20686-66-233 % similar
5-Chloro-2-methylbenzoxazole19219-99-932 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds