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N-{2-[(4-chlorophenyl)methoxy]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide

ChemBase ID: 341372
Molecular Formular: C16H17ClN2O3
Molecular Mass: 320.77078
Monoisotopic Mass: 320.09277009
SMILES and InChIs

SMILES:
c1(c(C2CC2)ocn1)C(=O)NCCOCc1ccc(Cl)cc1
Canonical SMILES:
O=C(c1ncoc1C1CC1)NCCOCc1ccc(cc1)Cl
InChI:
InChI=1S/C16H17ClN2O3/c17-13-5-1-11(2-6-13)9-21-8-7-18-16(20)14-15(12-3-4-12)22-10-19-14/h1-2,5-6,10,12H,3-4,7-9H2,(H,18,20)
InChIKey:
OUQXNKHMBVQSMS-UHFFFAOYSA-N

Cite this record

CBID:341372 http://www.chembase.cn/molecule-341372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{2-[(4-chlorophenyl)methoxy]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide
IUPAC Traditional name
N-{2-[(4-chlorophenyl)methoxy]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide
Synonyms
N-{2-[(4-chlorobenzyl)oxy]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.131944  H Acceptors
H Donor LogD (pH = 5.5) 2.2801769 
LogD (pH = 7.4) 2.2801766  Log P 2.2801769 
Molar Refractivity 83.1745 cm3 Polarizability 31.605665 Å3
Polar Surface Area 64.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -3.72 
Polar Surface Area 64.36 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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