(2S)-1-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-2-(diphenylphosphino)ferrocene

C₂₈H₂₈FeNOPCAS 163169-29-7481.36 g/mol

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Alkene Ether Phosphine

Properties

Molecular formula: C₂₈H₂₈FeNOP
Molar mass: 481.36 g/mol
Exact mass: 481.1258 Da
logP: 6.62Crippen estimate
Polar surface area: 23.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

163169-29-7

SMILES

CC(C)[C@H]1COC(=C2C=CC=C2P(c2ccccc2)c2ccccc2)[N-]1.[Fe+2].c1cc[cH-]c1

InChIKey

QBVUAVSTWGOOOJ-GHVWMZMZSA-N

InChI

InChI=1S/C23H23NOP.C5H5.Fe/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;1-2-4-5-3-1;/h3-15,17,21H,16H2,1-2H3;1-5H;/q2*-1;+2/t21-;;/m1../s1

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Names and synonyms

2 names

Ferrocene, 1-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-2-(diphenylphosphino)-, (2S)-
Ferrocene, 1-[4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-2-(diphenylphosphino)-, [S-(R*,R*)]-

Work with (2S)-1-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-2-(diphenylphosphino)ferrocene

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

Elsewhere

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