(4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic acid

C₂₄H₂₁NO₅CAS 949023-16-9403.43 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether

Properties

Molecular formula: C₂₄H₂₁NO₅
Molar mass: 403.43 g/mol
Exact mass: 403.1420 Da
logP: 4.06Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
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

949023-16-9

SMILES

COC1=CC=C(C=C1)C2N([C@H]([C@@H](O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChIKey

RDVJYGYJBUIIOE-ZOAFEQKISA-N

InChI

InChI=1S/C24H21NO5/c1-29-19-14-12-18(13-15-19)23-25(22(26)17-10-6-3-7-11-17)20(21(30-23)24(27)28)16-8-4-2-5-9-16/h2-15,20-21,23H,1H3,(H,27,28)/t20-,21+,23?/m0/s1

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Names and synonyms

1 names

3-Benzoyl-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid, (4S,5R)-

Work with (4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic 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

(4S,5R)-3-tert-Butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid196404-55-469 % similar (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-149 % similar (S,S)-Di-p-anisoyltartaric acid191605-10-444 % similar (2R,3R)-2,3-Bis((4-methoxybenzoyl)oxy)butanedioic acid50583-51-244 % similar 4-Methoxymandelic acid10502-44-043 % similar 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-443 % similar trans-1-Benzoyl-4-phenyl-L-proline120851-71-041 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-739 % similar

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

Same formula

Fmoc-D-tyr-oh112883-29-1 (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-0

Elsewhere

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