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methyl[(5-phenyl-1,2-oxazol-3-yl)methyl](1,3-thiazol-2-ylmethyl)amine

ChemBase ID: 350027
Molecular Formular: C15H15N3OS
Molecular Mass: 285.3641
Monoisotopic Mass: 285.09358312
SMILES and InChIs

SMILES:
n1oc(cc1CN(Cc1nccs1)C)c1ccccc1
Canonical SMILES:
CN(Cc1nccs1)Cc1noc(c1)c1ccccc1
InChI:
InChI=1S/C15H15N3OS/c1-18(11-15-16-7-8-20-15)10-13-9-14(19-17-13)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey:
JYACUGJGQJFZOW-UHFFFAOYSA-N

Cite this record

CBID:350027 http://www.chembase.cn/molecule-350027.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(5-phenyl-1,2-oxazol-3-yl)methyl](1,3-thiazol-2-ylmethyl)amine
IUPAC Traditional name
methyl[(5-phenyl-1,2-oxazol-3-yl)methyl](1,3-thiazol-2-ylmethyl)amine
Synonyms
N-methyl-1-(5-phenylisoxazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 15264810 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) 2.068352  LogD (pH = 7.4) 2.3785055 
Log P 2.3843186  Molar Refractivity 79.6822 cm3
Polarizability 31.682352 Å3 Polar Surface Area 42.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.94  LOG S -2.78 
Polar Surface Area 42.16 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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