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714972-00-6 molecular structure
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5-(trifluoromethyl)-1,3-oxazol-2-amine

ChemBase ID: 66864
Molecular Formular: C4H3F3N2O
Molecular Mass: 152.0746296
Monoisotopic Mass: 152.01974739
SMILES and InChIs

SMILES:
o1c(ncc1C(F)(F)F)N
Canonical SMILES:
FC(c1cnc(o1)N)(F)F
InChI:
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-9-3(8)10-2/h1H,(H2,8,9)
InChIKey:
OUSMDDBAOJWGMN-UHFFFAOYSA-N

Cite this record

CBID:66864 http://www.chembase.cn/molecule-66864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)-1,3-oxazol-2-amine
IUPAC Traditional name
5-(trifluoromethyl)-1,3-oxazol-2-amine
Synonyms
5-(Trifluoromethyl)-1,3-oxazol-2-amine
2-Amino-5-(trifluoromethyl)-1,3-oxazole
5-(Trifluoromethyl)-1,3-oxazol-2-amine
CAS Number
714972-00-6
MDL Number
MFCD09800568
PubChem SID
162032600
PubChem CID
21928627

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.792765  H Acceptors
H Donor LogD (pH = 5.5) 0.5682807 
LogD (pH = 7.4) 0.5683103  Log P 0.56831086 
Molar Refractivity 26.7923 cm3 Polarizability 9.196034 Å3
Polar Surface Area 52.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
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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