(2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(2-methoxyethoxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol

HCID 68181750
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Basic information

Standard SMILES
COCCOc1nc2ccc(C#C[C@@](C)(O)c3noc(C)n3)cc2n1-c1ccnc(N)n1
InChIKey
NYWXKWOHWJKWBD-OAQYLSRUSA-N
Molecular formula
C21H21N7O4
Average molar mass
435.4 g/mol
Monoisotopic mass
435.16550218

Names & identifiers

Preferred name
(2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(2-methoxyethoxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol
IUPAC
(2R)-4-[3-(2-aminopyrimidin-4-yl)-2-(2-methoxyethoxy)benzimidazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol

Names & synonyms

SCHEMBL11970776NYWXKWOHWJKWBD-OAQYLSRUSA-N(2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(2-methoxyethoxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol

Database identifiers

PubChem CID
68181750

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
147 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

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(2R)-4-[1-(2-aminopyrimidin-4-yl)-2-(2-methoxyethoxy)-1H-1,3-benzodiazol-6-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol (HCID 68181750)｜Huagongshe