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6-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-cyclopropyl-1,3-benzoxazole

ChemBase ID: 340192
Molecular Formular: C23H21N3O3
Molecular Mass: 387.43114
Monoisotopic Mass: 387.15829155
SMILES and InChIs

SMILES:
c1(nc2c(o1)cccc2)C1CN(C(=O)c2cc3oc(nc3cc2)C2CC2)CCC1
Canonical SMILES:
O=C(c1ccc2c(c1)oc(n2)C1CC1)N1CCCC(C1)c1nc2c(o1)cccc2
InChI:
InChI=1S/C23H21N3O3/c27-23(15-9-10-18-20(12-15)29-21(25-18)14-7-8-14)26-11-3-4-16(13-26)22-24-17-5-1-2-6-19(17)28-22/h1-2,5-6,9-10,12,14,16H,3-4,7-8,11,13H2
InChIKey:
HCKGENYKXUCTOJ-UHFFFAOYSA-N

Cite this record

CBID:340192 http://www.chembase.cn/molecule-340192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-cyclopropyl-1,3-benzoxazole
IUPAC Traditional name
6-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-cyclopropyl-1,3-benzoxazole
Synonyms
6-{[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]carbonyl}-2-cyclopropyl-1,3-benzoxazole

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)
H Acceptors H Donor
LogD (pH = 5.5) 3.416009  LogD (pH = 7.4) 3.4160128 
Log P 3.4160128  Molar Refractivity 106.1828 cm3
Polarizability 42.94748 Å3 Polar Surface Area 72.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.68  LOG S -5.94 
Polar Surface Area 72.37 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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