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2-ethyl-5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-4-methyl-1,3-oxazole

ChemBase ID: 510047
Molecular Formular: C17H20N2O3
Molecular Mass: 300.3523
Monoisotopic Mass: 300.14739251
SMILES and InChIs

SMILES:
c1(C(=O)N2C(CC2)c2cc(OC)ccc2)c(nc(o1)CC)C
Canonical SMILES:
CCc1nc(c(o1)C(=O)N1CCC1c1cccc(c1)OC)C
InChI:
InChI=1S/C17H20N2O3/c1-4-15-18-11(2)16(22-15)17(20)19-9-8-14(19)12-6-5-7-13(10-12)21-3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKey:
LCWYHEHGFAYTIR-UHFFFAOYSA-N

Cite this record

CBID:510047 http://www.chembase.cn/molecule-510047.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-4-methyl-1,3-oxazole
IUPAC Traditional name
2-ethyl-5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-4-methyl-1,3-oxazole
Synonyms
2-ethyl-5-{[2-(3-methoxyphenyl)azetidin-1-yl]carbonyl}-4-methyl-1,3-oxazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40462507 external link Add to cart
Data Source Data ID Price
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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) 1.6031046  LogD (pH = 7.4) 1.6031052 
Log P 1.6031052  Molar Refractivity 82.8182 cm3
Polarizability 31.441835 Å3 Polar Surface Area 55.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.46  LOG S -1.78 
Polar Surface Area 55.57 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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