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3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide

ChemBase ID: 340103
Molecular Formular: C18H20N4O3
Molecular Mass: 340.3764
Monoisotopic Mass: 340.15354052
SMILES and InChIs

SMILES:
c1(c2[nH]c3c(c2)cccc3)nnc(o1)CCC(=O)N(C1CCOC1)C
Canonical SMILES:
O=C(N(C1COCC1)C)CCc1nnc(o1)c1cc2c([nH]1)cccc2
InChI:
InChI=1S/C18H20N4O3/c1-22(13-8-9-24-11-13)17(23)7-6-16-20-21-18(25-16)15-10-12-4-2-3-5-14(12)19-15/h2-5,10,13,19H,6-9,11H2,1H3
InChIKey:
YVHPSYWNJLBPLI-UHFFFAOYSA-N

Cite this record

CBID:340103 http://www.chembase.cn/molecule-340103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide
IUPAC Traditional name
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxolan-3-yl)propanamide
Synonyms
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(tetrahydro-3-furanyl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 11.849351  H Acceptors
H Donor LogD (pH = 5.5) 0.48778197 
LogD (pH = 7.4) 0.4877687  Log P 0.48778227 
Molar Refractivity 103.6089 cm3 Polarizability 36.82506 Å3
Polar Surface Area 84.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.22  LOG S -3.57 
Polar Surface Area 84.25 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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