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110926-01-7 molecular structure
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1,3-oxazol-4-amine

ChemBase ID: 802797
Molecular Formular: C3H4N2O
Molecular Mass: 84.07666
Monoisotopic Mass: 84.03236276
SMILES and InChIs

SMILES:
o1cnc(c1)N
Canonical SMILES:
Nc1cocn1
InChI:
InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2
InChIKey:
NXWFZLSDGBWCMN-UHFFFAOYSA-N

Cite this record

CBID:802797 http://www.chembase.cn/molecule-802797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazol-4-amine
IUPAC Traditional name
1,3-oxazol-4-amine
Synonyms
OXAZOL-4-AMINE
CAS Number
110926-01-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19346 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19346 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.034649  H Acceptors
H Donor LogD (pH = 5.5) -0.3193365 
LogD (pH = 7.4) -0.3193313  Log P -0.31933123 
Molar Refractivity 21.7813 cm3 Polarizability 7.5160317 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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