2-chloro-4-((1R,2S)-2-hydroxy-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile

HCID 44200997

Notes Reactions

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Basic information

Standard SMILES: Cc1c(N[C@@H](c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey: KKOCZEDXVWMUGC-KPZWWZAWSA-N
Molecular formula: C20H19ClN4O4S
Average molar mass: 446.9 g/mol

Names & identifiers

Preferred name: 2-chloro-4-((1R,2S)-2-hydroxy-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile
IUPAC: 2-chloro-4-[[(1R,2S)-2-hydroxy-1-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-3-methylbenzonitrile

Names & synonyms

SCHEMBL1364476KKOCZEDXVWMUGC-KPZWWZAWSA-NBDBM112813US8629167, 242-chloro-4-((1R,2S)-2-hydroxy-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile

Database identifiers

PubChem CID: 44200997

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 137 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 731

Related reactions

3 records

New reaction record

HRID 563222As productuspto-grants-2011_11

HRID 1254671As productuspto-grants-2013_06

HRID 2388423As productuspto-grants-2012_09

Compound notes

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