4-((1R,2S)-2-(tert-Butyldimethylsilyloxy)-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-2-chlorobenzonitrile

HCID 58433656

Notes Reactions

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Basic information

Standard SMILES: C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1
InChIKey: VSKKNVNUHJHOOO-KSFYIVLOSA-N
Molecular formula: C25H31ClN4O4SSi
Average molar mass: 547.1 g/mol

Names & identifiers

Preferred name: 4-((1R,2S)-2-(tert-Butyldimethylsilyloxy)-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-2-chlorobenzonitrile
IUPAC: 4-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-2-chlorobenzonitrile

Names & synonyms

SCHEMBL1365699VSKKNVNUHJHOOO-KSFYIVLOSA-N4-((1R,2S)-2-(tert-Butyldimethylsilyloxy)-1-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)propylamino)-2-chlorobenzonitrile

Database identifiers

PubChem CID: 58433656

Properties

Computed structural properties

Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 36
Formal charge: 0
Complexity: 892

Related reactions

8 records

New reaction record

HRID 470821As productuspto-grants-2014_01

HRID 470822As reactantuspto-grants-2014_01

HRID 563277As productuspto-grants-2011_11

HRID 563278As reactantuspto-grants-2011_11

HRID 1254726As productuspto-grants-2013_06

HRID 1254727As reactantuspto-grants-2013_06

HRID 2388478As productuspto-grants-2012_09

HRID 2388479As reactantuspto-grants-2012_09

Compound notes

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