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

HCID 67006182
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Basic information

Standard SMILES
Cc1c(N[C@@H](c2nnc(-c3ccc(I)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChIKey
RPSLJTGBAHSCTD-APPDUMDISA-N
Molecular formula
C19H16ClIN4O2
Average molar mass
494.7 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1363714RPSLJTGBAHSCTD-APPDUMDISA-NBDBM112845US8629167, 572-chloro-4-((1R,2S)-2-hydroxy-1-(5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile

Database identifiers

PubChem CID
67006182

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
95 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

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2-chloro-4-((1R,2S)-2-hydroxy-1-(5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile (HCID 67006182)｜Huagongshe