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N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclobutylpiperidine-4-carboxamide

ChemBase ID: 322465
Molecular Formular: C23H25N3O2
Molecular Mass: 375.4635
Monoisotopic Mass: 375.19467706
SMILES and InChIs

SMILES:
n1c(oc2c1cccc2)c1ccc(NC(=O)C2CCN(CC2)C2CCC2)cc1
Canonical SMILES:
O=C(C1CCN(CC1)C1CCC1)Nc1ccc(cc1)c1nc2c(o1)cccc2
InChI:
InChI=1S/C23H25N3O2/c27-22(16-12-14-26(15-13-16)19-4-3-5-19)24-18-10-8-17(9-11-18)23-25-20-6-1-2-7-21(20)28-23/h1-2,6-11,16,19H,3-5,12-15H2,(H,24,27)
InChIKey:
RCBSONYGIKJZAD-UHFFFAOYSA-N

Cite this record

CBID:322465 http://www.chembase.cn/molecule-322465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclobutylpiperidine-4-carboxamide
IUPAC Traditional name
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclobutylpiperidine-4-carboxamide
Synonyms
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclobutyl-4-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.44823  H Acceptors
H Donor LogD (pH = 5.5) 0.62062335 
LogD (pH = 7.4) 1.9781896  Log P 3.979105 
Molar Refractivity 120.2262 cm3 Polarizability 43.81634 Å3
Polar Surface Area 58.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.41  LOG S -5.29 
Polar Surface Area 58.37 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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