4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5-trimethyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-2-carboxamide

HCID 68586263
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Basic information

Standard SMILES
Cc1nc(-c2c(C)c(C#N)c3nc(C(=O)N(C)C)oc3c2N2CC[C@H](N(C)C)C2)cs1
InChIKey
HPHMOELIBINFLX-AWEZNQCLSA-N
Molecular formula
C22H26N6O2S
Average molar mass
438.5 g/mol
Monoisotopic mass
438.18379527

Names & identifiers

Preferred name
4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5-trimethyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-2-carboxamide
IUPAC
4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5-trimethyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-2-carboxamide

Names & synonyms

SCHEMBL3298887HPHMOELIBINFLX-AWEZNQCLSA-N4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5-trimethyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-2-carboxamide

Database identifiers

PubChem CID
68586263

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
118 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
31

Related reactions

1 records
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Compound notes

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