Ethyl 5-methylisoxazole-4-carboxylate

C7H9NO3CAS 51135-73-0155.15 g/mol

Open in Covalent MOL file
OOON
Ester

Properties

Molecular formula
C7H9NO3
Molar mass
155.15 g/mol
Exact mass
155.0582 Da
logP
1.16Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
51135-73-0
SMILES
CCOC(=O)C1=C(ON=C1)C
InChIKey
KOMSQTMQKWSQDW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3

Weigh it out

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

Work with Ethyl 5-methylisoxazole-4-carboxylate

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

5-Methylisoxazole-4-carboxylic acid42831-50-550 % similar 5-Methyl-1,2-oxazole-4-carbonyl chloride67305-24-250 % similar Diethyl phthalate84-66-250 % similar Ethyl 3-aminoisonicotinate14208-83-449 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-048 % similar Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-248 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-448 % similar Ethyl thiazole-5-carboxylate32955-22-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

D-2-Furylalanine110772-46-8 3-Furan-2-ylalanine127682-08-0 Methacryloyloxyethyl isocyanate30674-80-7 Ethyl 5-methylisoxazole-3-carboxylate3209-72-1 Ammonium salicylate528-94-9 3-Amino-3-(furan-2-yl)propanoic acid73456-99-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook