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5-(1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2,4-oxadiazole

ChemBase ID: 370842
Molecular Formular: C20H23FN4O2
Molecular Mass: 370.4206232
Monoisotopic Mass: 370.18050422
SMILES and InChIs

SMILES:
c1(nc(c(o1)C)CN1C(c2nc(no2)C(C)C)CCC1)c1c(F)cccc1
Canonical SMILES:
Cc1oc(nc1CN1CCCC1c1onc(n1)C(C)C)c1ccccc1F
InChI:
InChI=1S/C20H23FN4O2/c1-12(2)18-23-20(27-24-18)17-9-6-10-25(17)11-16-13(3)26-19(22-16)14-7-4-5-8-15(14)21/h4-5,7-8,12,17H,6,9-11H2,1-3H3
InChIKey:
OUEMQKNUFWPTFE-UHFFFAOYSA-N

Cite this record

CBID:370842 http://www.chembase.cn/molecule-370842.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2,4-oxadiazole
IUPAC Traditional name
5-(1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}pyrrolidin-2-yl)-3-isopropyl-1,2,4-oxadiazole
Synonyms
5-(1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-pyrrolidinyl)-3-isopropyl-1,2,4-oxadiazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.695709  LogD (pH = 7.4) 4.3589 
Log P 4.3793507  Molar Refractivity 110.9234 cm3
Polarizability 38.185036 Å3 Polar Surface Area 68.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.52  LOG S -3.04 
Polar Surface Area 68.19 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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