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885274-29-3 molecular structure
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2-(2-methoxyphenyl)-N-methyl-1,3-oxazol-4-amine

ChemBase ID: 810995
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
N(C)c1nc(oc1)c1c(cccc1)OC
Canonical SMILES:
CNc1coc(n1)c1ccccc1OC
InChI:
InChI=1S/C11H12N2O2/c1-12-10-7-15-11(13-10)8-5-3-4-6-9(8)14-2/h3-7,12H,1-2H3
InChIKey:
VGNGYBHSISYIJQ-UHFFFAOYSA-N

Cite this record

CBID:810995 http://www.chembase.cn/molecule-810995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyphenyl)-N-methyl-1,3-oxazol-4-amine
IUPAC Traditional name
2-(2-methoxyphenyl)-N-methyl-1,3-oxazol-4-amine
Synonyms
2-(2-METHOXY-PHENYL)-OXAZOL-4-YL-METHYLAMINE
CAS Number
885274-29-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29991 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29991 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.09578  H Acceptors
H Donor LogD (pH = 5.5) 1.8494716 
LogD (pH = 7.4) 1.8494718  Log P 1.8494718 
Molar Refractivity 68.8395 cm3 Polarizability 22.0835 Å3
Polar Surface Area 47.29 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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