4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,5-dimethyl-6-phenyl-N-pyridin-2-yl-1,3-benzoxazole-2-carboxamide

HCID 68585482
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Basic information

Standard SMILES
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(C(=O)N(C)c3ccccn3)nc2c1C#N
InChIKey
VGVZIGSPBJACQE-FQEVSTJZSA-N
Molecular formula
C28H28N6O2
Average molar mass
480.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3296740VGVZIGSPBJACQE-FQEVSTJZSA-N4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,5-dimethyl-6-phenyl-N-pyridin-2-yl-1,3-benzoxazole-2-carboxamide

Database identifiers

PubChem CID
68585482

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
89.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

Related reactions

1 records
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Linked notes

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