chempirical

(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid

C16H13NO3CAS 158722-22-6267.28 g/mol

Open in Covalent MOL file
ONOHO
Carboxylic acid

Properties

Molecular formula
C16H13NO3
Molar mass
267.28 g/mol
Exact mass
267.0895 Da
logP
2.66Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
158722-22-6
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](OC(=N2)C3=CC=CC=C3)C(=O)O
InChIKey
BPBOFBFRBITMMR-UONOGXRCSA-N
InChI
InChI=1S/C16H13NO3/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)/t13-,14+/m0/s1

Weigh it out

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Work with (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid

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

(+)-Dibenzoyltartaric acid17026-42-553 % similar L-Dibenzoyltartaric acid2743-38-653 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine132201-33-352 % similar O,O′-Dibenzoyl-(2R,3R)-tartaric acid monohydrate62708-56-949 % similar D-(+)-Dibenzoyl tartaric acid monohydrate80822-15-749 % similar Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-848 % similar Diphenylacetic acid117-34-045 % similar Phenylmalonic acid2613-89-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one167869-21-8 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-1 Aloe barbadensis extract85507-69-3

Elsewhere

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