2-Chloro-4-((1R,2S)-1-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile

HCID 44199708

Notes Reactions

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Basic information

Standard SMILES: Cc1c(N[C@@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey: XPFUVSVLDFDBCE-DYZYQPBXSA-N
Molecular formula: C19H15Cl3N4O2
Average molar mass: 437.7 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-((1R,2S)-1-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile
IUPAC: 2-chloro-4-[[(1R,2S)-1-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile

Names & synonyms

SCHEMBL1364687XPFUVSVLDFDBCE-DYZYQPBXSA-NBDBM112843US8629167, 552-Chloro-4-((1R,2S)-1-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile

Database identifiers

PubChem CID: 44199708

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 95 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 577

Related reactions

3 records

New reaction record

HRID 563296As productuspto-grants-2011_11

HRID 1254745As productuspto-grants-2013_06

HRID 2388497As productuspto-grants-2012_09

Compound notes

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