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33124-08-2 molecular structure
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5-benzyl-1,3-oxazol-2-amine

ChemBase ID: 814165
Molecular Formular: C10H10N2O
Molecular Mass: 174.1992
Monoisotopic Mass: 174.07931295
SMILES and InChIs

SMILES:
o1c(ncc1Cc1ccccc1)N
Canonical SMILES:
Nc1ncc(o1)Cc1ccccc1
InChI:
InChI=1S/C10H10N2O/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)
InChIKey:
CLOHIGYLDYVGPR-UHFFFAOYSA-N

Cite this record

CBID:814165 http://www.chembase.cn/molecule-814165.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-benzyl-1,3-oxazol-2-amine
IUPAC Traditional name
5-benzyl-1,3-oxazol-2-amine
Synonyms
5-benzyloxazol-2-amine
CAS Number
33124-08-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36310 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36310 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.691402  H Acceptors
H Donor LogD (pH = 5.5) 1.62463 
LogD (pH = 7.4) 1.6263273  Log P 1.626349 
Molar Refractivity 50.7098 cm3 Polarizability 18.799421 Å3
Polar Surface Area 52.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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