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1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylpyrrolidine-3-carboxamide
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ChemBase ID:
398819
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Molecular Formular:
C19H25N3O4
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Molecular Mass:
359.4195
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Monoisotopic Mass:
359.1845063
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SMILES and InChIs
SMILES:
c1(nc(c(o1)C)CN1CC(C(=O)NC)CC1)c1c(ccc(c1)OC)OC
Canonical SMILES:
CNC(=O)C1CCN(C1)Cc1nc(oc1C)c1cc(OC)ccc1OC
InChI:
InChI=1S/C19H25N3O4/c1-12-16(11-22-8-7-13(10-22)18(23)20-2)21-19(26-12)15-9-14(24-3)5-6-17(15)25-4/h5-6,9,13H,7-8,10-11H2,1-4H3,(H,20,23)
InChIKey:
CCCHJDTYFZKMRC-UHFFFAOYSA-N
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Cite this record
CBID:398819 http://www.chembase.cn/molecule-398819.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylpyrrolidine-3-carboxamide
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IUPAC Traditional name
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1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylpyrrolidine-3-carboxamide
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Synonyms
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1-{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylpyrrolidine-3-carboxamide
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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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15.315393
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-1.5080158
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LogD (pH = 7.4)
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0.26378655
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Log P
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1.0481778
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Molar Refractivity
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108.3114 cm3
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Polarizability
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38.29349 Å3
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Polar Surface Area
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76.83 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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1
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Log P
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1.19
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LOG S
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-2.84
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Polar Surface Area
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76.83 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent