6-Cyclopentadienyl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile

HCID 131728186
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Basic information

Standard SMILES
Cc1c(C2C=CC=C2)c(N2CC[C@H](N(C)C)C2)c2oc(C3CC3)nc2c1C#N
InChIKey
QLJLBHOWKHBXPY-KRWDZBQOSA-N
Molecular formula
C23H26N4O
Average molar mass
374.5 g/mol

Names & identifiers

Preferred name
6-Cyclopentadienyl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile
IUPAC
6-cyclopenta-2,4-dien-1-yl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile

Names & synonyms

QLJLBHOWKHBXPY-KRWDZBQOSA-N6-Cyclopentadienyl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile

Database identifiers

PubChem CID
131728186

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
56.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
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Compound notes

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