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108511-97-3 molecular structure
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1,2-oxazol-4-amine

ChemBase ID: 67061
Molecular Formular: C3H4N2O
Molecular Mass: 84.07666
Monoisotopic Mass: 84.03236276
SMILES and InChIs

SMILES:
o1ncc(c1)N
Canonical SMILES:
Nc1conc1
InChI:
InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2
InChIKey:
CVCYZCBJCQXUCN-UHFFFAOYSA-N

Cite this record

CBID:67061 http://www.chembase.cn/molecule-67061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-oxazol-4-amine
IUPAC Traditional name
1,2-oxazol-4-amine
Synonyms
4-Aminoisoxazole
Isoxazol-4-amine
1,2-oxazol-4-amine
CAS Number
108511-97-3
MDL Number
MFCD08234629
PubChem SID
162032797
PubChem CID
13804278

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.49113494  LogD (pH = 7.4) -0.49113473 
Log P -0.49113473  Molar Refractivity 22.2004 cm3
Polarizability 7.516495 Å3 Polar Surface Area 52.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.231 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% 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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