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6825-91-8 molecular structure
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5-(4-methoxyphenyl)-1,3-oxazol-2-amine

ChemBase ID: 815723
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
o1c(ncc1c1ccc(cc1)OC)N
Canonical SMILES:
COc1ccc(cc1)c1cnc(o1)N
InChI:
InChI=1S/C10H10N2O2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3,(H2,11,12)
InChIKey:
VQHNQBUVJHKDOD-UHFFFAOYSA-N

Cite this record

CBID:815723 http://www.chembase.cn/molecule-815723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methoxyphenyl)-1,3-oxazol-2-amine
IUPAC Traditional name
5-(4-methoxyphenyl)-1,3-oxazol-2-amine
Synonyms
5-(4-methoxyphenyl)oxazol-2-amine
CAS Number
6825-91-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38125 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38125 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.635042  H Acceptors
H Donor LogD (pH = 5.5) 1.1791602 
LogD (pH = 7.4) 1.1800057  Log P 1.1800165 
Molar Refractivity 52.418 cm3 Polarizability 20.90792 Å3
Polar Surface Area 61.28 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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