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6826-28-4 molecular structure
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5-(4-methylphenyl)-1,3-oxazol-2-amine

ChemBase ID: 815724
Molecular Formular: C10H10N2O
Molecular Mass: 174.1992
Monoisotopic Mass: 174.07931295
SMILES and InChIs

SMILES:
o1c(ncc1c1ccc(cc1)C)N
Canonical SMILES:
Cc1ccc(cc1)c1cnc(o1)N
InChI:
InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
InChIKey:
JRHYJRMNHZTGPA-UHFFFAOYSA-N

Cite this record

CBID:815724 http://www.chembase.cn/molecule-815724.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methylphenyl)-1,3-oxazol-2-amine
IUPAC Traditional name
5-(4-methylphenyl)-1,3-oxazol-2-amine
Synonyms
5-p-tolyloxazol-2-amine
CAS Number
6826-28-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38126 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38126 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.618145  H Acceptors
H Donor LogD (pH = 5.5) 1.8502824 
LogD (pH = 7.4) 1.8510987  Log P 1.8511091 
Molar Refractivity 50.996 cm3 Polarizability 20.171938 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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