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885272-89-9 molecular structure
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[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine

ChemBase ID: 810937
Molecular Formular: C10H9FN2O
Molecular Mass: 192.1896632
Monoisotopic Mass: 192.06989114
SMILES and InChIs

SMILES:
NCc1nc(oc1)c1ccc(cc1)F
Canonical SMILES:
NCc1coc(n1)c1ccc(cc1)F
InChI:
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1-4,6H,5,12H2
InChIKey:
CGTLKOTUAWCRDT-UHFFFAOYSA-N

Cite this record

CBID:810937 http://www.chembase.cn/molecule-810937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
IUPAC Traditional name
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
Synonyms
C-[2-(4-FLUORO-PHENYL)-OXAZOL-4-YL]-METHYLAMINE
CAS Number
885272-89-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29932 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29932 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) -1.1775628  LogD (pH = 7.4) 0.50978583 
Log P 1.2898498  Molar Refractivity 60.0366 cm3
Polarizability 19.608433 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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