2-Amino-4-(trifluoromethyl)oxazole

C₄H₃F₃N₂OCAS 35629-71-1152.08 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₄H₃F₃N₂O
Molar mass: 152.08 g/mol
Exact mass: 152.0197 Da
logP: 1.28Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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

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

Identifiers

CAS number

35629-71-1

SMILES

C1=C(N=C(O1)N)C(F)(F)F

InChIKey

LUSFWEXIRSHBNN-UHFFFAOYSA-N

InChI

InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)

Weigh it out

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

Work with 2-Amino-4-(trifluoromethyl)oxazole

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-Amino-4-methyloxazole35629-70-043 % similar 2-Amino-5-(trifluoromethyl)pyrazine69816-38-241 % similar 2-Amino-6-(trifluoromethyl)pyridine34486-24-339 % similar 2-Amino-4-(trifluoromethyl)pyrimidine16075-42-638 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-538 % similar 3-Amino-2-chloro-6-(trifluoromethyl)pyridine117519-09-236 % similar 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-136 % similar 2-Methyl-6-(trifluoromethyl)pyridin-3-amine383907-17-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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