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N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
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ChemBase ID:
470413
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Molecular Formular:
C23H23FN4O2
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Molecular Mass:
406.4527232
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Monoisotopic Mass:
406.18050422
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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
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Cite this record
CBID:470413 http://www.chembase.cn/molecule-470413.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
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IUPAC Traditional name
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N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
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Synonyms
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N-[1-(4-fluorophenyl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.324179
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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3.1817853
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LogD (pH = 7.4)
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3.1817853
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Log P
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3.1817856
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Molar Refractivity
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113.0574 cm3
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Polarizability
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43.48911 Å3
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Polar Surface Area
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83.81 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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1.93
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LOG S
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-6.16
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Polar Surface Area
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83.81 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent