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N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

ChemBase ID: 470413
Molecular Formular: C23H23FN4O2
Molecular Mass: 406.4527232
Monoisotopic Mass: 406.18050422
SMILES and InChIs

SMILES:
n1nc(oc1Cc1c[nH]c2c1cccc2)CCC(=O)NC(c1ccc(cc1)F)CC
Canonical SMILES:
CCC(c1ccc(cc1)F)NC(=O)CCc1nnc(o1)Cc1c[nH]c2c1cccc2
InChI:
InChI=1S/C23H23FN4O2/c1-2-19(15-7-9-17(24)10-8-15)26-21(29)11-12-22-27-28-23(30-22)13-16-14-25-20-6-4-3-5-18(16)20/h3-10,14,19,25H,2,11-13H2,1H3,(H,26,29)
InChIKey:
WRGFNIYJISIIBQ-UHFFFAOYSA-N

Cite this record

CBID:470413 http://www.chembase.cn/molecule-470413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
IUPAC Traditional name
N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
Synonyms
N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

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 14.324179  H Acceptors
H Donor LogD (pH = 5.5) 3.1817853 
LogD (pH = 7.4) 3.1817853  Log P 3.1817856 
Molar Refractivity 113.0574 cm3 Polarizability 43.48911 Å3
Polar Surface Area 83.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.93  LOG S -6.16 
Polar Surface Area 83.81 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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