Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

C13H13NO3CAS 103788-64-3231.25 g/mol

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NOOO
Ester

Properties

Molecular formula
C13H13NO3
Molar mass
231.25 g/mol
Exact mass
231.0895 Da
logP
2.37Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
103788-64-3
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)OC
InChIKey
UDWQWRFEUXUBHR-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO3/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

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Names and synonyms

1 names
  • Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

Work with Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

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-Phenyl-5-methyloxazole-4-acetic acid107367-98-664 % similar 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-452 % similar Methyl phenylacetate101-41-748 % similar Methyl 2-pyridineacetate1658-42-043 % similar Methyl 2-chlorobenzeneacetate57486-68-743 % similar Methyl 2-(2-bromophenyl)acetate57486-69-840 % similar Methyl 3-phenylpropionate103-25-340 % similar Methyl (2-hydroxyphenyl)acetate22446-37-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate77156-75-3

Elsewhere

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