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2-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-methyl-1H-1,3-benzodiazole

ChemBase ID: 340978
Molecular Formular: C19H23N5O
Molecular Mass: 337.41882
Monoisotopic Mass: 337.19026038
SMILES and InChIs

SMILES:
c1(oc(nn1)C1CCC1)N1CC(c2nc3c([nH]2)cccc3C)CCC1
Canonical SMILES:
Cc1cccc2c1nc([nH]2)C1CCCN(C1)c1nnc(o1)C1CCC1
InChI:
InChI=1S/C19H23N5O/c1-12-5-2-9-15-16(12)21-17(20-15)14-8-4-10-24(11-14)19-23-22-18(25-19)13-6-3-7-13/h2,5,9,13-14H,3-4,6-8,10-11H2,1H3,(H,20,21)
InChIKey:
ZVTWZDCPXSJOKH-UHFFFAOYSA-N

Cite this record

CBID:340978 http://www.chembase.cn/molecule-340978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-methyl-1H-1,3-benzodiazole
IUPAC Traditional name
2-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-methyl-1H-1,3-benzodiazole
Synonyms
2-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-methyl-1H-benzimidazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13953415 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.755588  H Acceptors
H Donor LogD (pH = 5.5) 2.7330303 
LogD (pH = 7.4) 3.416798  Log P 3.4427629 
Molar Refractivity 97.361 cm3 Polarizability 37.202442 Å3
Polar Surface Area 70.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -5.37 
Polar Surface Area 70.84 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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