chempirical

2-Chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile

C20H16ClN5O2CAS 1182367-47-0393.83 g/mol

Open in Covalent MOL file
HNNNNOHONCl
AlcoholAryl halideNitrileSecondary amine

Properties

Molecular formula
C20H16ClN5O2
Molar mass
393.83 g/mol
Exact mass
393.0993 Da
logP
3.98Crippen estimate
Polar surface area
118.8 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
1182367-47-0
SMILES
Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey
XMBUPPIEVAFYHO-KPZWWZAWSA-N
InChI
InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1

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Names and synonyms

4 names
  • Benzonitrile, 2-chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methyl-
  • RAD 140
  • Testolone
  • Vosilasarm

Work with 2-Chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile

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

Tlb 150 benzoate1208070-53-466 % similar

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

Elsewhere

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