(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.

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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

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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

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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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