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885272-87-7 molecular structure
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[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine

ChemBase ID: 810935
Molecular Formular: C11H12N2O2
Molecular Mass: 204.22518
Monoisotopic Mass: 204.08987763
SMILES and InChIs

SMILES:
NCc1nc(oc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1occ(n1)CN
InChI:
InChI=1S/C11H12N2O2/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6,12H2,1H3
InChIKey:
ARUADPINZQKRCD-UHFFFAOYSA-N

Cite this record

CBID:810935 http://www.chembase.cn/molecule-810935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine
IUPAC Traditional name
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine
Synonyms
C-[2-(4-METHOXY-PHENYL)-OXAZOL-4-YL]-METHYLAMINE
CAS Number
885272-87-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29930 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29930 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4788604  LogD (pH = 7.4) 0.20835544 
Log P 0.9894765  Molar Refractivity 66.2834 cm3
Polarizability 22.461912 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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