Tert-butyl [3-(2-tert-butyl-4-cyano-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-2-cyclopentenyl]carbamate

HCID 86630798
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Basic information

Standard SMILES
Cc1c(-c2ccccc2)c(C2=CC(NC(=O)OC(C)(C)C)CC2)c2oc(C(C)(C)C)nc2c1C#N
InChIKey
YEFFEIHSAUEZQP-UHFFFAOYSA-N
Molecular formula
C29H33N3O3
Average molar mass
471.6 g/mol

Names & identifiers

Preferred name
Tert-butyl [3-(2-tert-butyl-4-cyano-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-2-cyclopentenyl]carbamate
IUPAC
tert-butyl N-[3-(2-tert-butyl-4-cyano-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)cyclopent-2-en-1-yl]carbamate

Names & synonyms

YEFFEIHSAUEZQP-UHFFFAOYSA-Ntert-butyl [3-(2-tert-butyl-4-cyano-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-2-cyclopentenyl]carbamate

Database identifiers

PubChem CID
86630798

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Linked notes

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