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2-(3-fluorophenoxymethyl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,3-oxazole

ChemBase ID: 323344
Molecular Formular: C17H19FN2O4
Molecular Mass: 334.3421632
Monoisotopic Mass: 334.13288532
SMILES and InChIs

SMILES:
c1(nc(oc1)COc1cc(F)ccc1)C(=O)N1CC(CC1)COC
Canonical SMILES:
COCC1CCN(C1)C(=O)c1coc(n1)COc1cccc(c1)F
InChI:
InChI=1S/C17H19FN2O4/c1-22-9-12-5-6-20(8-12)17(21)15-10-24-16(19-15)11-23-14-4-2-3-13(18)7-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKey:
ITMARZWSUKCKKE-UHFFFAOYSA-N

Cite this record

CBID:323344 http://www.chembase.cn/molecule-323344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-fluorophenoxymethyl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,3-oxazole
IUPAC Traditional name
2-(3-fluorophenoxymethyl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,3-oxazole
Synonyms
2-[(3-fluorophenoxy)methyl]-4-{[3-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-1,3-oxazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11422009 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.4004251  LogD (pH = 7.4) 1.4004251 
Log P 1.4004251  Molar Refractivity 84.4801 cm3
Polarizability 32.053707 Å3 Polar Surface Area 64.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.39  LOG S -3.53 
Polar Surface Area 64.8 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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